 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_wB97XD-def2SVPDr.in
 Output=03_trispirononane_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/03_trispirononane_STD/Gau-38517.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     38518.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=03_trispirononane_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:38:07 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "03_trispirononane_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 17:38:08 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Fri Jul 23 17:38:08 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   294 symmetry adapted cartesian basis functions of A   symmetry.
 There are   276 symmetry adapted basis functions of A   symmetry.
   276 basis functions,   408 primitive gaussians,   294 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0122320788 Hartrees.
 Nuclear repulsion after empirical dispersion term =      431.2844331051 Hartrees.
 Leave Link  301 at Fri Jul 23 17:38:10 2021, MaxMem= 10737418240 cpu:              14.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   276 RedAO= T EigKep=  2.39D-05  NBF=   276
 NBsUse=   276 1.00D-06 EigRej= -1.00D+00 NBFU=   276
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   294   294   294   294   294 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Fri Jul 23 17:38:10 2021, MaxMem= 10737418240 cpu:               6.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:38:11 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:38:12 2021, MaxMem= 10737418240 cpu:               6.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737237681 LenY= 10737150804
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.685912042430    
 DIIS: error= 3.83D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.685912042430     IErMin= 1 ErrMin= 3.83D-03
 ErrMax= 3.83D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.63D-03 BMatP= 7.63D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.83D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.458 Goal=   None    Shift=    0.000
 GapD=    0.458 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.52D-03 MaxDP=1.94D-01              OVMax= 1.18D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.52D-03    CP:  1.01D+00
 E= -349.692723717827     Delta-E=       -0.006811675397 Rises=F Damp=F
 DIIS: error= 7.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.692723717827     IErMin= 2 ErrMin= 7.78D-04
 ErrMax= 7.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-04 BMatP= 7.63D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.78D-03
 Coeff-Com: -0.579D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.575D-01 0.106D+01
 Gap=     0.431 Goal=   None    Shift=    0.000
 RMSDP=6.08D-04 MaxDP=1.91D-02 DE=-6.81D-03 OVMax= 4.89D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.89D-04    CP:  1.01D+00  1.08D+00
 E= -349.692972838052     Delta-E=       -0.000249120225 Rises=F Damp=F
 DIIS: error= 3.07D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.692972838052     IErMin= 3 ErrMin= 3.07D-04
 ErrMax= 3.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.20D-05 BMatP= 1.45D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.07D-03
 Coeff-Com: -0.417D-01 0.387D+00 0.655D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.416D-01 0.385D+00 0.656D+00
 Gap=     0.428 Goal=   None    Shift=    0.000
 RMSDP=9.28D-05 MaxDP=2.25D-03 DE=-2.49D-04 OVMax= 1.11D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.21D-05    CP:  1.01D+00  1.09D+00  9.75D-01
 E= -349.693026419141     Delta-E=       -0.000053581089 Rises=F Damp=F
 DIIS: error= 8.08D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.693026419141     IErMin= 4 ErrMin= 8.08D-05
 ErrMax= 8.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-06 BMatP= 5.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.440D-03-0.481D-01 0.617D-01 0.987D+00
 Coeff:     -0.440D-03-0.481D-01 0.617D-01 0.987D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=4.41D-05 MaxDP=1.47D-03 DE=-5.36D-05 OVMax= 5.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.17D-05    CP:  1.01D+00  1.09D+00  1.03D+00  9.61D-01
 E= -349.693028676085     Delta-E=       -0.000002256944 Rises=F Damp=F
 DIIS: error= 3.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.693028676085     IErMin= 5 ErrMin= 3.14D-05
 ErrMax= 3.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-07 BMatP= 1.64D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-02-0.401D-01-0.721D-02 0.448D+00 0.597D+00
 Coeff:      0.182D-02-0.401D-01-0.721D-02 0.448D+00 0.597D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=5.32D-04 DE=-2.26D-06 OVMax= 1.37D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.97D-06    CP:  1.01D+00  1.09D+00  1.05D+00  9.97D-01  8.65D-01
 E= -349.693029208443     Delta-E=       -0.000000532357 Rises=F Damp=F
 DIIS: error= 5.01D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.693029208443     IErMin= 6 ErrMin= 5.01D-06
 ErrMax= 5.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.84D-09 BMatP= 5.46D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-03-0.432D-02-0.559D-02 0.193D-01 0.105D+00 0.885D+00
 Coeff:      0.361D-03-0.432D-02-0.559D-02 0.193D-01 0.105D+00 0.885D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=2.92D-06 MaxDP=1.28D-04 DE=-5.32D-07 OVMax= 3.28D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.70D-06    CP:  1.01D+00  1.09D+00  1.05D+00  9.97D-01  9.09D-01
                    CP:  1.13D+00
 E= -349.693029218605     Delta-E=       -0.000000010162 Rises=F Damp=F
 DIIS: error= 1.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.693029218605     IErMin= 7 ErrMin= 1.46D-06
 ErrMax= 1.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.81D-10 BMatP= 7.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.279D-04 0.635D-03-0.158D-02-0.167D-01 0.573D-02 0.285D+00
 Coeff-Com:  0.727D+00
 Coeff:      0.279D-04 0.635D-03-0.158D-02-0.167D-01 0.573D-02 0.285D+00
 Coeff:      0.727D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=6.77D-07 MaxDP=3.09D-05 DE=-1.02D-08 OVMax= 9.89D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.57D-07    CP:  1.01D+00  1.09D+00  1.05D+00  9.96D-01  9.17D-01
                    CP:  1.18D+00  1.07D+00
 E= -349.693029219765     Delta-E=       -0.000000001161 Rises=F Damp=F
 DIIS: error= 5.88D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.693029219765     IErMin= 8 ErrMin= 5.88D-07
 ErrMax= 5.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-10 BMatP= 9.81D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.380D-04 0.786D-03 0.172D-03-0.812D-02-0.118D-01-0.357D-01
 Coeff-Com:  0.236D+00 0.818D+00
 Coeff:     -0.380D-04 0.786D-03 0.172D-03-0.812D-02-0.118D-01-0.357D-01
 Coeff:      0.236D+00 0.818D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=3.24D-07 MaxDP=1.45D-05 DE=-1.16D-09 OVMax= 4.80D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.56D-07    CP:  1.01D+00  1.09D+00  1.05D+00  9.95D-01  9.20D-01
                    CP:  1.20D+00  1.20D+00  1.08D+00
 E= -349.693029219923     Delta-E=       -0.000000000158 Rises=F Damp=F
 DIIS: error= 7.95D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.693029219923     IErMin= 9 ErrMin= 7.95D-08
 ErrMax= 7.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-12 BMatP= 1.16D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.560D-05 0.526D-04 0.755D-04-0.681D-04-0.107D-02-0.165D-01
 Coeff-Com: -0.176D-01 0.794D-01 0.956D+00
 Coeff:     -0.560D-05 0.526D-04 0.755D-04-0.681D-04-0.107D-02-0.165D-01
 Coeff:     -0.176D-01 0.794D-01 0.956D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=6.91D-08 MaxDP=2.25D-06 DE=-1.58D-10 OVMax= 1.02D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.17D-08    CP:  1.01D+00  1.09D+00  1.05D+00  9.95D-01  9.20D-01
                    CP:  1.20D+00  1.21D+00  1.16D+00  1.10D+00
 E= -349.693029219937     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 2.80D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.693029219937     IErMin=10 ErrMin= 2.80D-08
 ErrMax= 2.80D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.85D-13 BMatP= 2.82D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-05-0.451D-04 0.126D-04 0.632D-03 0.643D-03-0.273D-02
 Coeff-Com: -0.255D-01-0.386D-01 0.315D+00 0.750D+00
 Coeff:      0.109D-05-0.451D-04 0.126D-04 0.632D-03 0.643D-03-0.273D-02
 Coeff:     -0.255D-01-0.386D-01 0.315D+00 0.750D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=1.63D-08 MaxDP=8.62D-07 DE=-1.42D-11 OVMax= 2.50D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.62D-09    CP:  1.01D+00  1.09D+00  1.05D+00  9.95D-01  9.20D-01
                    CP:  1.20D+00  1.21D+00  1.18D+00  1.16D+00  1.04D+00
 E= -349.693029219939     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 5.72D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -349.693029219939     IErMin=11 ErrMin= 5.72D-09
 ErrMax= 5.72D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-14 BMatP= 4.85D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.708D-06-0.158D-04-0.133D-05 0.171D-03 0.261D-03 0.608D-03
 Coeff-Com: -0.521D-02-0.155D-01 0.720D-02 0.195D+00 0.817D+00
 Coeff:      0.708D-06-0.158D-04-0.133D-05 0.171D-03 0.261D-03 0.608D-03
 Coeff:     -0.521D-02-0.155D-01 0.720D-02 0.195D+00 0.817D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=4.55D-09 MaxDP=1.51D-07 DE=-1.59D-12 OVMax= 7.02D-08

 SCF Done:  E(RwB97XD) =  -349.693029220     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0128
 KE= 3.452891828421D+02 PE=-1.669632169604D+03 EE= 5.433655244371D+02
 Leave Link  502 at Fri Jul 23 17:39:13 2021, MaxMem= 10737418240 cpu:             980.7 elap:              61.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   276
 NBasis=   276 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    276 NOA=    33 NOB=    33 NVA=   243 NVB=   243

 **** Warning!!: The largest alpha MO coefficient is  0.47847943D+02

 Leave Link  801 at Fri Jul 23 17:39:14 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6343 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.87D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.35D-01 5.76D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.69D-02 2.43D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.99D-03 1.09D-02.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 9.13D-05 2.87D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 5.72D-06 3.19D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 4.77D-07 1.02D-04.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 1.59D-08 2.44D-05.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 2.56D-10 2.74D-06.
      8 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 7.08D-12 4.03D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.67D-13 6.50D-08.
      1 vectors produced by pass 11 Test12= 1.34D-13 8.33D-09 XBig12= 8.19D-15 1.32D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.118173D+03
      2 -0.297370D-03  0.961819D+02
      3  0.143992D+01  0.126908D-03  0.910327D+02
 Isotropic polarizability for W=    0.085645      101.80 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.164728D-01 -0.250948D+02 -0.337013D-02
      2   0.483497D-02 -0.761388D+01 -0.104877D-01
      3   0.116379D-01  0.327087D+02  0.138578D-01
      4  -0.265680D+02 -0.111685D-02 -0.992398D+00
      5  -0.271423D-02  0.213495D+01  0.124422D-01
      6  -0.191308D+01 -0.124139D-01  0.163074D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.793715D+01 -0.242120D-03  0.167486D+01
      2  -0.140159D-02 -0.261441D+01  0.350547D-02
      3   0.246311D+02 -0.431716D-03 -0.362443D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.312735D+01 -0.192615D-02  0.164013D+02
      2  -0.655909D-03  0.920686D+00  0.804359D-03
      3  -0.147317D+01  0.595182D-02 -0.404804D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.233758D+01  0.881696D-04 -0.471047D+01
      2   0.881696D-04  0.238653D+01  0.760826D-04
      3  -0.471047D+01  0.760826D-04  0.164936D+01
 OR G Eigenvalues:    -5.4590     2.3865     4.7708  Iso=    -0.5661
 Eigenvectors:
   (1)   0.833587  -0.000015   0.552388
   (2)   0.000016   1.000000   0.000003
   (3)  -0.552388   0.000006   0.833587
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5661 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -223.38 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   38226 ScalPx= 2.14D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   38226 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.03D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.42D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 5.41D-02 3.11D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.37D-03 6.16D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 2.30D-05 8.78D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.80D-07 6.72D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.68D-09 8.46D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.85D-11 7.36D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.16D-13 5.57D-08.
      9 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 2.45D-15 5.44D-09.
      6 vectors produced by pass  9 Test12= 2.23D-14 2.78D-09 XBig12= 2.86D-15 5.59D-09.
      6 vectors produced by pass 10 Test12= 2.23D-14 2.78D-09 XBig12= 5.09D-15 8.38D-09.
      4 vectors produced by pass 11 Test12= 2.23D-14 2.78D-09 XBig12= 1.63D-15 5.33D-09.
      1 vectors produced by pass 12 Test12= 2.23D-14 2.78D-09 XBig12= 7.36D-16 4.28D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   266 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   38226 ScalPx= 7.27D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   38226 ScalPx= 7.27D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   38226 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.52D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118173D+03 -0.297370D-03  0.143992D+01
      2  -0.297370D-03  0.961819D+02  0.126908D-03
      3   0.143992D+01  0.126908D-03  0.910327D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.793715D+01 -0.242120D-03  0.167486D+01
      2  -0.140159D-02 -0.261441D+01  0.350547D-02
      3   0.246311D+02 -0.431716D-03 -0.362443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.164728D-01 -0.250948D+02 -0.337013D-02
      2   0.483497D-02 -0.761388D+01 -0.104877D-01
      3   0.116379D-01  0.327087D+02  0.138578D-01
      4  -0.265680D+02 -0.111685D-02 -0.992398D+00
      5  -0.271423D-02  0.213495D+01  0.124422D-01
      6  -0.191308D+01 -0.124139D-01  0.163074D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.347000D+01  0.329504D+01 -0.534840D+01 -0.986652D+00 -0.317942D+01
      2   0.329504D+01 -0.420408D+01  0.909761D+00 -0.317942D+01 -0.214982D+01
      3  -0.534840D+01  0.909761D+00  0.277597D+01  0.184371D+01 -0.140627D+01
                 6             7             8             9            10 
      1   0.184371D+01 -0.200150D+01 -0.118607D+01  0.197771D+01 -0.353715D+00
      2  -0.140627D+01 -0.118607D+01 -0.260642D+01  0.238309D+01  0.731267D+00
      3   0.313930D+01  0.197771D+01  0.238309D+01  0.218585D+01 -0.126404D+01
                11            12            13            14            15 
      1   0.731267D+00 -0.126404D+01  0.235634D+01 -0.100298D+01 -0.294199D+01
      2  -0.211431D-01  0.873603D+00 -0.100298D+01  0.107162D+01  0.114629D+01
      3   0.873603D+00 -0.463801D+00 -0.294199D+01  0.114629D+01 -0.128709D+01
                16            17            18            19            20 
      1  -0.517158D+01 -0.108826D+01  0.116498D+01 -0.118880D-02 -0.717402D+00
      2  -0.108826D+01  0.308383D+01 -0.101757D+01 -0.717402D+00  0.125471D-03
      3   0.116498D+01 -0.101757D+01  0.197024D+00  0.406115D-04 -0.307894D+00
                21            22            23            24            25 
      1   0.406115D-04  0.190861D+01 -0.190705D-02  0.347154D+01  0.459574D-03
      2  -0.307894D+00 -0.190705D-02  0.546992D+00  0.179946D-03  0.512779D+01
      3  -0.704012D-04  0.347154D+01  0.179946D-03 -0.254276D+01  0.214314D-02
                26            27            28            29            30 
      1   0.512779D+01  0.214314D-02  0.881614D+00 -0.328107D+01  0.311066D+01
      2   0.264919D-03 -0.104613D+01 -0.328107D+01 -0.331687D+00 -0.409677D+00
      3  -0.104613D+01 -0.150862D-02  0.311066D+01 -0.409677D+00  0.212343D+01
                31            32            33            34            35 
      1  -0.605499D+01  0.258302D+01 -0.338996D+00  0.412668D+01  0.143509D+01
      2   0.258302D+01  0.223552D+01  0.326350D+01  0.143509D+01  0.181900D+01
      3  -0.338996D+00  0.326350D+01  0.241135D+01  0.839375D+00  0.158575D+01
                36            37            38            39            40 
      1   0.839375D+00  0.156441D+01 -0.315464D+01  0.562326D+00 -0.193143D+01
      2   0.158575D+01 -0.315464D+01  0.305589D+01 -0.332323D+01  0.251738D+01
      3  -0.297468D+01  0.562326D+00 -0.332323D+01 -0.337371D+01 -0.931908D+00
                41            42            43            44            45 
      1   0.251738D+01 -0.931908D+00  0.241897D+01 -0.423964D+01 -0.262245D+01
      2  -0.201767D+01 -0.223058D+01 -0.423964D+01 -0.215840D+01 -0.190662D+00
      3  -0.223058D+01 -0.408350D+00 -0.262245D+01 -0.190662D+00  0.452408D+00
                46            47            48            49            50 
      1  -0.346905D+01  0.329244D+01  0.534796D+01 -0.987251D+00  0.318017D+01
      2   0.329244D+01  0.420368D+01  0.911123D+00  0.318017D+01 -0.215124D+01
      3   0.534796D+01  0.911123D+00 -0.277761D+01  0.184564D+01  0.140356D+01
                51            52            53            54            55 
      1   0.184564D+01  0.200025D+01 -0.118545D+01 -0.198024D+01  0.359241D+00
      2   0.140356D+01 -0.118545D+01  0.260385D+01  0.238407D+01  0.731514D+00
      3   0.313897D+01 -0.198024D+01  0.238407D+01 -0.218204D+01  0.126444D+01
                56            57            58            59            60 
      1   0.731514D+00  0.126444D+01  0.235444D+01  0.100430D+01 -0.294133D+01
      2   0.201655D-01  0.873186D+00  0.100430D+01  0.107420D+01 -0.114479D+01
      3   0.873186D+00  0.464164D+00 -0.294133D+01 -0.114479D+01 -0.128684D+01
                61            62            63            64            65 
      1   0.517189D+01 -0.108829D+01 -0.116703D+01 -0.156597D+01 -0.315827D+01
      2  -0.108829D+01 -0.308281D+01 -0.101922D+01 -0.315827D+01 -0.305198D+01
      3  -0.116703D+01 -0.101922D+01 -0.198377D+00 -0.561597D+00 -0.332490D+01
                66            67            68            69            70 
      1  -0.561597D+00 -0.193285D+01 -0.251432D+01 -0.933353D+00 -0.241774D+01
      2  -0.332490D+01 -0.251432D+01 -0.201984D+01  0.223138D+01 -0.424018D+01
      3   0.337095D+01 -0.933353D+00  0.223138D+01 -0.405700D+00  0.262051D+01
                71            72            73            74            75 
      1  -0.424018D+01  0.262051D+01 -0.888060D+00 -0.328006D+01 -0.311293D+01
      2   0.216019D+01 -0.186289D+00 -0.328006D+01  0.332496D+00 -0.407426D+00
      3  -0.186289D+00 -0.456185D+00 -0.311293D+01 -0.407426D+00 -0.212050D+01
                76            77            78            79            80 
      1  -0.605356D+01 -0.258364D+01 -0.337386D+00 -0.412909D+01  0.143663D+01
      2  -0.258364D+01  0.223855D+01 -0.326354D+01  0.143663D+01 -0.181952D+01
      3  -0.337386D+00 -0.326354D+01  0.240803D+01 -0.835122D+00  0.158298D+01
                81            82            83            84            85 
      1  -0.835122D+00  0.159184D+01  0.147007D+01 -0.134886D+00  0.287253D+01
      2   0.158298D+01  0.147007D+01  0.319915D+01 -0.800886D+00  0.290151D+01
      3   0.297902D+01 -0.134886D+00 -0.800886D+00  0.403222D+00 -0.932857D+00
                86            87            88            89            90 
      1   0.290151D+01 -0.932857D+00  0.968226D+00 -0.140542D-01  0.206402D+00
      2   0.927974D+01 -0.202038D+01 -0.140542D-01  0.473245D+00  0.107714D+01
      3  -0.202038D+01  0.177917D+01  0.206402D+00  0.107714D+01 -0.109640D+01
                91            92            93            94            95 
      1  -0.938133D+00 -0.959086D-01 -0.343695D+00 -0.937540D+00  0.526571D+00
      2  -0.959086D-01  0.155956D+00  0.309766D-01  0.526571D+00  0.409566D+00
      3  -0.343695D+00  0.309766D-01 -0.166320D+01 -0.255752D+00 -0.107480D+01
                96            97            98            99           100 
      1  -0.255752D+00 -0.168905D+01  0.584843D-01 -0.224905D+00  0.756877D+00
      2  -0.107480D+01  0.584843D-01 -0.157145D+01  0.103604D+01  0.601665D+00
      3  -0.170229D+01 -0.224905D+00  0.103604D+01 -0.981506D+01  0.757268D+00
               101           102           103           104           105 
      1   0.601665D+00  0.757268D+00  0.600156D+00  0.280084D+00  0.147181D+00
      2  -0.252259D+00  0.247233D+00  0.280084D+00 -0.584235D+00  0.576794D+00
      3   0.247233D+00 -0.452870D+00  0.147181D+00  0.576794D+00 -0.970546D+00
               106           107           108           109           110 
      1   0.253334D+01 -0.305613D+00  0.259642D+01  0.102261D+02  0.273708D+01
      2  -0.305613D+00  0.118154D+01 -0.676625D+00  0.273708D+01  0.180980D+01
      3   0.259642D+01 -0.676625D+00  0.903307D+01  0.484846D+00  0.173785D+00
               111           112           113           114           115 
      1   0.484846D+00  0.498809D+01  0.181469D+01  0.304446D+00 -0.193101D+01
      2   0.173785D+00  0.181469D+01  0.137660D+01 -0.194163D+00 -0.337566D+00
      3   0.115879D+01  0.304446D+00 -0.194163D+00  0.605266D+00  0.134806D+01
               116           117           118           119           120 
      1  -0.337566D+00  0.134806D+01 -0.123333D+01 -0.506161D+00  0.824591D-01
      2  -0.876907D+00  0.239487D+00 -0.506161D+00 -0.283653D+01  0.905672D+00
      3   0.239487D+00  0.444104D+00  0.824591D-01  0.905672D+00 -0.323959D+00
               121           122           123           124           125 
      1  -0.127570D+01 -0.389452D+00  0.387459D+00  0.774455D+00  0.724926D+00
      2  -0.389452D+00 -0.746553D+01  0.994284D+00  0.724926D+00  0.228061D+01
      3   0.387459D+00  0.994284D+00 -0.125078D+01  0.302212D+00 -0.143454D+01
               126           127           128           129           130 
      1   0.302212D+00  0.327425D+01 -0.143749D+01 -0.211218D+01 -0.584208D+00
      2  -0.143454D+01 -0.143749D+01  0.130467D+01  0.154660D+01  0.111310D+01
      3   0.887995D+00 -0.211218D+01  0.154660D+01  0.269855D+01  0.982362D+00
               131           132           133           134           135 
      1   0.111310D+01  0.982362D+00 -0.391908D+01  0.238860D+01  0.325389D+01
      2  -0.242878D+01 -0.136126D+01  0.238860D+01 -0.265012D+01 -0.247873D+01
      3  -0.136126D+01 -0.104462D+01  0.325389D+01 -0.247873D+01 -0.506725D+01
               136           137           138           139           140 
      1   0.939295D+00 -0.958691D-01  0.343853D+00 -0.937942D+00 -0.526317D+00
      2  -0.958691D-01 -0.155498D+00  0.308918D-01 -0.526317D+00  0.408879D+00
      3   0.343853D+00  0.308918D-01  0.166505D+01 -0.256190D+00  0.107511D+01
               141           142           143           144           145 
      1  -0.256190D+00  0.168891D+01  0.585567D-01  0.226875D+00 -0.159240D+01
      2   0.107511D+01  0.585567D-01  0.157103D+01  0.103441D+01  0.147006D+01
      3  -0.170316D+01  0.226875D+00  0.103441D+01  0.981358D+01  0.135439D+00
               146           147           148           149           150 
      1   0.147006D+01  0.135439D+00  0.287277D+01 -0.290113D+01 -0.933467D+00
      2  -0.319909D+01 -0.801605D+00 -0.290113D+01  0.927762D+01  0.202182D+01
      3  -0.801605D+00 -0.403614D+00 -0.933467D+00  0.202182D+01  0.177982D+01
               151           152           153           154           155 
      1  -0.967182D+00 -0.145716D-01 -0.206362D+00  0.123178D+01 -0.505265D+00
      2  -0.145716D-01 -0.471121D+00  0.107719D+01 -0.505265D+00  0.283352D+01
      3  -0.206362D+00  0.107719D+01  0.109722D+01 -0.829669D-01  0.906463D+00
               156           157           158           159           160 
      1  -0.829669D-01 -0.127515D+01  0.387589D+00  0.387531D+00 -0.775689D+00
      2   0.906463D+00  0.387589D+00 -0.746483D+01 -0.997294D+00  0.724548D+00
      3   0.324278D+00  0.387531D+00 -0.997294D+00 -0.125167D+01 -0.302040D+00
               161           162           163           164           165 
      1   0.724548D+00 -0.302040D+00 -0.327093D+01 -0.143659D+01  0.211056D+01
      2  -0.228473D+01 -0.143647D+01 -0.143659D+01 -0.130485D+01  0.154671D+01
      3  -0.143647D+01 -0.890121D+00  0.211056D+01  0.154671D+01 -0.269679D+01
               166           167           168           169           170 
      1  -0.584633D+00 -0.111380D+01  0.982834D+00  0.391798D+01  0.238897D+01
      2  -0.111380D+01 -0.243052D+01  0.136171D+01  0.238897D+01  0.265134D+01
      3   0.982834D+00  0.136171D+01 -0.104571D+01 -0.325258D+01 -0.248007D+01
               171           172           173           174           175 
      1  -0.325258D+01 -0.758255D+00  0.601984D+00 -0.757567D+00  0.601045D+00
      2  -0.248007D+01  0.601984D+00  0.251572D+00  0.246831D+00 -0.280406D+00
      3   0.506784D+01 -0.757567D+00  0.246831D+00  0.450292D+00  0.147388D+00
               176           177           178           179           180 
      1  -0.280406D+00  0.147388D+00 -0.253468D+01 -0.305211D+00 -0.259929D+01
      2  -0.583456D+00 -0.576458D+00 -0.305211D+00 -0.118139D+01 -0.674072D+00
      3  -0.576458D+00 -0.967979D+00 -0.259929D+01 -0.674072D+00 -0.903383D+01
               181           182           183           184           185 
      1  -0.102244D+02  0.273762D+01 -0.481586D+00  0.498794D+01 -0.181504D+01
      2   0.273762D+01 -0.180990D+01  0.172784D+00 -0.181504D+01  0.137665D+01
      3  -0.481586D+00  0.172784D+00 -0.115855D+01  0.303145D+00  0.194898D+00
               186           187           188           189 
      1   0.303145D+00  0.193545D+01 -0.338701D+00 -0.134856D+01
      2   0.194898D+00 -0.338701D+00  0.877969D+00  0.240199D+00
      3   0.605600D+00 -0.134856D+01  0.240199D+00 -0.442637D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383470D+01  0.457799D+01 -0.590477D+01  0.480712D+01  0.782260D+01
      2  -0.214288D+01  0.223038D+01  0.208593D+01  0.422553D+01 -0.716106D+01
      3   0.122018D+00  0.377112D+01 -0.630616D+01  0.587499D+01 -0.261121D+01
                 6             7             8             9            10 
      1  -0.735394D+01 -0.335755D+01  0.382539D+01 -0.865150D+01 -0.159689D+00
      2   0.523412D+01 -0.496451D+01  0.217451D+01  0.556470D+01 -0.411298D+00
      3   0.326530D+01 -0.568965D+01  0.227155D+01  0.889746D+00  0.453978D+01
                11            12            13            14            15 
      1   0.875644D+00  0.216972D+01 -0.220632D+01  0.801110D+00 -0.390905D+01
      2  -0.179310D+00  0.342499D+01 -0.226942D+01  0.210353D+01 -0.483595D+01
      3  -0.769701D+01 -0.143916D+00  0.127905D+02 -0.370841D+01 -0.148887D+01
                16            17            18            19            20 
      1  -0.714936D+01  0.431524D+01 -0.177401D+00  0.125775D-02 -0.193346D+01
      2  -0.926919D+01  0.233137D+01 -0.129951D+00 -0.414323D+01 -0.825203D-03
      3  -0.532875D+00 -0.597681D+01  0.266268D+01 -0.948535D-03 -0.549581D+01
                21            22            23            24            25 
      1  -0.314866D-04  0.372611D+01 -0.455801D-03 -0.111457D+01 -0.100741D-02
      2   0.669657D+01 -0.348495D-04 -0.483084D+00  0.322519D-03 -0.137600D+02
      3   0.324143D-03  0.143127D+02 -0.266373D-02 -0.765193D+00  0.724969D-04
                26            27            28            29            30 
      1   0.345606D+01  0.199587D-02 -0.339637D+01  0.129948D+01  0.346539D+00
      2  -0.538317D-03  0.151748D+01  0.123907D+02  0.232052D+01  0.855693D+01
      3   0.543630D+01  0.206640D-02  0.874104D+01 -0.265423D+01  0.454152D+00
                31            32            33            34            35 
      1  -0.158784D+01  0.392658D+01  0.267709D+00  0.243200D+01  0.502303D+01
      2   0.385130D+01  0.950397D+01  0.751677D+01 -0.504089D+01  0.386604D+01
      3  -0.292499D+01 -0.825842D+01 -0.927587D+01 -0.306126D+01 -0.824001D+01
                36            37            38            39            40 
      1   0.268597D+01  0.162035D+01 -0.773946D+01 -0.378552D+01 -0.461375D+01
      2  -0.116012D+02 -0.836232D+00 -0.710823D+01 -0.526911D+01 -0.426536D+01
      3  -0.620066D+01  0.801125D+01 -0.857879D+01  0.713313D+01  0.998544D+00
                41            42            43            44            45 
      1  -0.458375D+01 -0.323489D+01 -0.558452D+01  0.583127D+01  0.128959D+01
      2  -0.377709D+01 -0.250038D+01 -0.696491D+01 -0.220019D+01 -0.555699D+00
      3   0.356167D+00  0.938542D+01  0.882175D+01  0.123896D+02  0.666603D+01
                46            47            48            49            50 
      1  -0.383608D+01  0.457707D+01  0.590920D+01  0.480624D+01 -0.782075D+01
      2  -0.214297D+01 -0.222949D+01  0.208731D+01 -0.422515D+01 -0.715898D+01
      3  -0.122553D+00  0.376702D+01  0.630615D+01  0.587110D+01  0.260945D+01
                51            52            53            54            55 
      1  -0.735645D+01  0.336454D+01  0.382056D+01  0.864609D+01  0.159682D+00
      2  -0.523588D+01 -0.496186D+01 -0.217745D+01  0.556323D+01 -0.411765D+00
      3   0.326466D+01  0.568871D+01  0.227048D+01 -0.891963D+00 -0.453816D+01
                56            57            58            59            60 
      1   0.875054D+00 -0.216978D+01 -0.220782D+01 -0.801397D+00 -0.390853D+01
      2   0.179846D+00  0.342506D+01  0.226887D+01  0.210123D+01  0.483524D+01
      3  -0.769782D+01  0.143750D+00  0.127919D+02  0.371264D+01 -0.148532D+01
                61            62            63            64            65 
      1   0.714905D+01  0.431408D+01  0.178267D+00 -0.161751D+01 -0.773828D+01
      2  -0.926758D+01 -0.232833D+01 -0.128099D+00 -0.836638D+00  0.711359D+01
      3   0.533903D+00 -0.597526D+01 -0.266601D+01 -0.801914D+01 -0.856294D+01
                66            67            68            69            70 
      1   0.378251D+01 -0.461290D+01  0.458526D+01 -0.322897D+01  0.558301D+01
      2  -0.526355D+01  0.426832D+01 -0.378196D+01  0.249388D+01 -0.696067D+01
      3  -0.714046D+01  0.101252D+01 -0.367995D+00  0.939161D+01 -0.882554D+01
                71            72            73            74            75 
      1   0.583974D+01 -0.129304D+01  0.339483D+01  0.129893D+01 -0.347287D+00
      2   0.218827D+01 -0.544311D+00  0.123930D+02 -0.232654D+01  0.854540D+01
      3   0.123974D+02 -0.665185D+01 -0.873902D+01 -0.265543D+01 -0.447636D+00
                76            77            78            79            80 
      1  -0.158703D+01 -0.392688D+01  0.265764D+00 -0.243435D+01  0.502019D+01
      2  -0.385471D+01  0.950444D+01 -0.750569D+01 -0.505617D+01 -0.385449D+01
      3  -0.292858D+01  0.827022D+01 -0.927783D+01  0.306420D+01 -0.824159D+01
                81            82            83            84            85 
      1  -0.268305D+01 -0.244966D+01 -0.344325D+01 -0.359821D+00 -0.240588D+01
      2  -0.116118D+02  0.189373D+01  0.953475D+00  0.108787D+01  0.257647D+01
      3   0.619077D+01  0.126927D+01 -0.286740D+01  0.872017D+00  0.419901D+01
                86            87            88            89            90 
      1  -0.104305D+02 -0.230131D+01 -0.301870D+00 -0.130177D+01  0.198133D+00
      2   0.163323D+01  0.149296D+01 -0.714813D-01  0.118083D+01 -0.817081D+00
      3  -0.460548D+01  0.505739D+00  0.131518D+01 -0.212087D+00 -0.678713D+00
                91            92            93            94            95 
      1   0.157199D+01  0.537158D-01  0.283500D+01 -0.348349D+00  0.137641D+01
      2  -0.277273D+01 -0.363313D+00 -0.118661D+01 -0.187057D+01 -0.651648D+00
      3  -0.822149D+00 -0.524390D+00 -0.461586D+00 -0.425428D+00  0.121937D+00
                96            97            98            99           100 
      1   0.306730D+01  0.395599D+00  0.355529D+01  0.130044D+02  0.992158D+00
      2  -0.248984D+01 -0.579045D+01  0.102488D+01 -0.104751D+02  0.254155D+01
      3   0.473490D+00 -0.229648D+01  0.112562D+01 -0.137594D+01 -0.138800D+01
               101           102           103           104           105 
      1  -0.107903D+00  0.256721D+00  0.240608D+00 -0.758517D+00 -0.546231D+00
      2   0.198748D+00 -0.149762D+01 -0.402427D+00  0.167517D+01 -0.309558D+01
      3  -0.108370D+00 -0.100730D+01 -0.226430D+00  0.150758D+01 -0.145296D+01
               106           107           108           109           110 
      1   0.941513D-01  0.392066D+01  0.139117D+01  0.319752D+01  0.169695D+01
      2   0.228663D+01 -0.169594D+01  0.253887D+02 -0.635278D+01 -0.140388D+01
      3   0.628007D+00 -0.371307D+01  0.176199D+01 -0.797255D+01 -0.826366D+01
               111           112           113           114           115 
      1  -0.593593D+00  0.207047D+01  0.125160D+01 -0.103675D+01 -0.404453D+00
      2   0.562551D+01 -0.248566D+01 -0.206771D+01  0.248318D+01  0.440960D+01
      3  -0.674507D+00 -0.344881D+01 -0.451788D+01  0.586305D+00  0.786046D+00
               116           117           118           119           120 
      1   0.316467D+00  0.682768D+00  0.948263D+00  0.248089D+01 -0.168850D+01
      2   0.116429D+01  0.303291D+00  0.611891D+00  0.133220D+01 -0.922026D-01
      3   0.265352D+01 -0.731423D+00  0.554444D+01  0.772654D+01 -0.287593D+01
               121           122           123           124           125 
      1   0.601519D+00  0.411789D+01 -0.480786D+01  0.335073D+00 -0.236125D+01
      2   0.608581D+00  0.169702D+01 -0.198795D+01 -0.299253D+00 -0.275736D+01
      3   0.587296D+01  0.196664D+02 -0.322251D+01 -0.377245D+01 -0.710097D+01
               126           127           128           129           130 
      1   0.250815D+01 -0.323283D+01  0.127253D+01  0.426898D+01  0.121929D+01
      2   0.141931D+01 -0.248897D+01  0.311034D+01  0.667788D+01  0.162022D+01
      3   0.350102D+01 -0.157757D+01 -0.210394D+01 -0.919393D+00 -0.318062D+00
               131           132           133           134           135 
      1  -0.776380D+00 -0.234948D+01  0.405062D+01 -0.803108D+00 -0.767938D+01
      2  -0.271329D+01 -0.246505D+01  0.303546D+01 -0.428114D+01 -0.102155D+02
      3   0.494589D+01  0.196521D+01  0.183733D+00  0.408402D+01  0.144429D+01
               136           137           138           139           140 
      1  -0.157281D+01  0.554843D-01 -0.283742D+01 -0.347416D+00 -0.137764D+01
      2  -0.277583D+01  0.363419D+00 -0.118869D+01  0.187241D+01 -0.652191D+00
      3   0.823106D+00 -0.523916D+00  0.461792D+00 -0.425188D+00 -0.122256D+00
               141           142           143           144           145 
      1   0.306853D+01 -0.398426D+00  0.355780D+01 -0.130000D+02  0.244963D+01
      2   0.249116D+01 -0.579327D+01 -0.102297D+01 -0.104742D+02  0.189445D+01
      3   0.472934D+00  0.229510D+01  0.112417D+01  0.137612D+01 -0.126974D+01
               146           147           148           149           150 
      1  -0.344375D+01  0.359082D+00 -0.240534D+01  0.104291D+02 -0.229873D+01
      2  -0.953229D+00  0.108766D+01 -0.257738D+01  0.163312D+01 -0.149237D+01
      3  -0.286710D+01 -0.872291D+00  0.419875D+01  0.460279D+01  0.505785D+00
               151           152           153           154           155 
      1   0.300707D+00 -0.129846D+01 -0.199071D+00 -0.948372D+00  0.247924D+01
      2  -0.726208D-01 -0.118011D+01 -0.817902D+00  0.614663D+00 -0.133481D+01
      3  -0.131396D+01 -0.210781D+00  0.678803D+00 -0.553697D+01  0.771764D+01
               156           157           158           159           160 
      1   0.168802D+01  0.600835D+00 -0.411789D+01 -0.480975D+01 -0.335228D+00
      2  -0.935471D-01 -0.610735D+00  0.170473D+01  0.199087D+01 -0.300599D+00
      3   0.287895D+01  0.586698D+01 -0.196618D+02 -0.323051D+01  0.377460D+01
               161           162           163           164           165 
      1  -0.236444D+01 -0.251302D+01  0.323128D+01  0.127392D+01 -0.426726D+01
      2   0.276227D+01  0.142355D+01 -0.248840D+01 -0.311160D+01  0.667478D+01
      3  -0.711119D+01 -0.350666D+01  0.157573D+01 -0.210489D+01  0.921974D+00
               166           167           168           169           170 
      1   0.122021D+01  0.777235D+00 -0.235207D+01 -0.405018D+01 -0.805990D+00
      2  -0.162060D+01 -0.271408D+01  0.246747D+01  0.303412D+01  0.428447D+01
      3  -0.318656D+00 -0.494901D+01  0.196535D+01 -0.182326D+00  0.408536D+01
               171           172           173           174           175 
      1   0.768200D+01 -0.991918D+00 -0.106322D+00 -0.257177D+00  0.240768D+00
      2  -0.102181D+02  0.254019D+01 -0.197466D+00 -0.148928D+01  0.402937D+00
      3  -0.144855D+01  0.138953D+01 -0.110578D+00  0.100590D+01 -0.227403D+00
               176           177           178           179           180 
      1   0.757319D+00 -0.545607D+00 -0.942182D-01  0.392085D+01 -0.138878D+01
      2   0.167384D+01  0.308824D+01  0.229575D+01  0.168899D+01  0.253914D+02
      3  -0.150560D+01 -0.145199D+01 -0.628529D+00 -0.371378D+01 -0.175498D+01
               181           182           183           184           185 
      1  -0.319643D+01  0.169552D+01  0.595373D+00  0.207001D+01 -0.125098D+01
      2  -0.635700D+01  0.140624D+01  0.562738D+01  0.248741D+01 -0.206920D+01
      3   0.797076D+01 -0.826348D+01  0.670974D+00 -0.344833D+01  0.451752D+01
               186           187           188           189 
      1  -0.103777D+01  0.406260D+00  0.315833D+00 -0.683180D+00
      2  -0.248553D+01  0.441384D+01 -0.116723D+01  0.298191D+00
      3   0.588418D+00 -0.788232D+00  0.265749D+01  0.733230D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.890073D+01  0.153232D+02 -0.465102D+01  0.707289D+01 -0.348071D+01
      2  -0.103503D+01 -0.177671D+02  0.119129D+02 -0.105317D+02 -0.136868D+02
      3   0.993576D+01  0.244390D+01 -0.726187D+01  0.345881D+01  0.171675D+02
      4   0.773075D+01 -0.472273D+01 -0.378268D+01 -0.760660D+01 -0.155304D+02
      5  -0.138845D+02 -0.216393D+01  0.125256D+02  0.697825D+00  0.261857D+01
      6  -0.156543D+02  0.774567D+01  0.220265D+01  0.928314D+01 -0.500886D+00
                 6             7             8             9            10 
      1   0.956058D+01  0.105846D+01  0.664876D+01  0.864522D+01 -0.918083D+00
      2   0.891700D+00  0.422623D+01 -0.374236D+01  0.123022D+02 -0.798501D+00
      3  -0.104523D+02 -0.528469D+01 -0.290640D+01 -0.209474D+02  0.171658D+01
      4   0.637995D+00 -0.712397D+01 -0.387566D+01  0.778300D+01  0.353519D+01
      5   0.313209D+01  0.103505D+02  0.525958D+01 -0.378935D+01 -0.104005D+02
      6   0.769328D+01  0.493216D+01  0.860198D+01 -0.511976D+01  0.184334D+01
                11            12            13            14            15 
      1   0.124394D+01 -0.466994D+01 -0.137818D+01 -0.115264D+01 -0.601395D+01
      2   0.162945D+01  0.170020D+01  0.441843D+01 -0.332392D+00  0.253334D+01
      3  -0.287339D+01  0.296974D+01 -0.304026D+01  0.148504D+01  0.348061D+01
      4  -0.114648D+01  0.460836D+01 -0.654319D+01  0.801103D+01  0.218468D+01
      5   0.604710D+01 -0.191319D+01 -0.305204D+01  0.862720D+00 -0.277761D+01
      6  -0.176036D+01  0.637003D+00 -0.408439D+01  0.172264D+01 -0.692738D+00
                16            17            18            19            20 
      1  -0.101441D+02 -0.403049D+01 -0.504122D+00 -0.939236D+00 -0.177618D-02
      2   0.532236D+01  0.218237D+01 -0.245894D+01  0.436734D+01  0.151118D-03
      3   0.482172D+01  0.184811D+01  0.296306D+01 -0.342811D+01  0.162506D-02
      4   0.687719D+00  0.626649D+01 -0.224819D+01 -0.361064D-02  0.540930D+00
      5  -0.172333D+01 -0.130947D+01  0.280258D+00  0.113140D+02  0.657172D-03
      6   0.492229D+01 -0.168074D+01  0.189574D+01  0.262669D-02  0.127205D+01
                21            22            23            24            25 
      1   0.163026D+01 -0.574802D-03 -0.109392D+01  0.144018D-02 -0.648607D+01
      2  -0.358151D+01 -0.205723D-02  0.341503D+01 -0.475365D-03  0.124695D+01
      3   0.195125D+01  0.263203D-02 -0.232110D+01 -0.964811D-03  0.523912D+01
      4   0.158659D-02 -0.427697D+01  0.156053D-02  0.547964D+00  0.381423D-02
      5  -0.661680D+01  0.490822D-02  0.221623D+00  0.430023D-04 -0.144530D+02
      6  -0.462702D-03  0.704834D+01  0.905031D-03 -0.326145D+01  0.154456D-02
                26            27            28            29            30 
      1  -0.478495D-03 -0.268232D+01 -0.763764D+01 -0.185464D+02  0.151962D+02
      2   0.105957D-02  0.954640D+00 -0.900854D+00  0.896985D+01 -0.931714D+01
      3  -0.581074D-03  0.172768D+01  0.853850D+01  0.957658D+01 -0.587905D+01
      4   0.529292D+00 -0.156316D-03 -0.232030D+02 -0.177604D+01 -0.348775D+01
      5  -0.573122D-03  0.502221D+01  0.215238D+02 -0.437803D+01  0.138431D+02
      6  -0.214258D+01 -0.215310D-02 -0.516687D+01  0.121203D+01 -0.271719D+01
                31            32            33            34            35 
      1  -0.306035D+02  0.718204D+01 -0.615059D+00  0.260167D+02  0.357068D+01
      2   0.140723D+02 -0.710455D+01 -0.330658D+01 -0.119036D+02 -0.505838D+01
      3   0.165312D+02 -0.774890D-01  0.392164D+01 -0.141131D+02  0.148771D+01
      4   0.875600D+01  0.117618D+02  0.153825D+02  0.391990D+01  0.103001D+02
      5  -0.562899D+01  0.174993D+02  0.980112D+01  0.925730D+01  0.708088D+01
      6  -0.284921D+00  0.179684D+01  0.188712D+01 -0.195622D+01  0.183494D+01
                36            37            38            39            40 
      1   0.170649D+02  0.940144D+00 -0.593849D+01 -0.673366D+01 -0.282887D+01
      2   0.177252D+01  0.715636D+01 -0.791927D+01  0.517262D+01 -0.766655D+01
      3  -0.188374D+02 -0.809651D+01  0.138578D+02  0.156104D+01  0.104954D+02
      4   0.603772D+01 -0.120833D+02  0.132559D+02 -0.127618D+02  0.151419D+02
      5  -0.123500D+02  0.497916D+01 -0.146286D+02 -0.159650D+02 -0.548876D+01
      6   0.360645D+01  0.121035D+00  0.794755D+01  0.828231D+01  0.488759D+01
                41            42            43            44            45 
      1   0.102120D+02 -0.988177D+01  0.800461D+00 -0.203456D+02 -0.121639D+02
      2  -0.347813D+01  0.114008D+02  0.192887D+01  0.169200D+02  0.878892D+01
      3  -0.673386D+01 -0.151898D+01 -0.272933D+01  0.342564D+01  0.337495D+01
      4  -0.189343D+02 -0.357820D+01 -0.181616D+02 -0.103644D+01  0.453380D+01
      5  -0.727863D+01  0.330112D+00 -0.140995D+02  0.171641D+01  0.667599D+01
      6   0.638202D+01 -0.865995D+00  0.108391D+02 -0.358926D+01 -0.322224D+01
                46            47            48            49            50 
      1  -0.890130D+01 -0.153190D+02 -0.464649D+01 -0.707503D+01 -0.347508D+01
      2  -0.104216D+01  0.177608D+02  0.119199D+02  0.105267D+02 -0.136857D+02
      3   0.994345D+01 -0.244179D+01 -0.727340D+01 -0.345165D+01  0.171608D+02
      4  -0.771829D+01 -0.472542D+01  0.377702D+01 -0.760936D+01  0.155302D+02
      5  -0.138817D+02  0.215798D+01  0.125261D+02 -0.706537D+00  0.262664D+01
      6   0.156469D+02  0.774941D+01 -0.219968D+01  0.928936D+01  0.486758D+00
                51            52            53            54            55 
      1  -0.955983D+01  0.106665D+01 -0.664818D+01  0.864145D+01 -0.933184D+00
      2  -0.899488D+00  0.423296D+01  0.373057D+01  0.122942D+02 -0.791160D+00
      3   0.104593D+02 -0.529961D+01  0.291760D+01 -0.209357D+02  0.172434D+01
      4   0.646983D+00  0.711902D+01 -0.386720D+01 -0.778432D+01 -0.353895D+01
      5  -0.312629D+01  0.103539D+02 -0.525844D+01 -0.380307D+01 -0.104030D+02
      6   0.768573D+01 -0.493287D+01  0.859782D+01  0.513281D+01 -0.184267D+01
                56            57            58            59            60 
      1  -0.124606D+01 -0.466997D+01  0.138181D+01 -0.115765D+01  0.601251D+01
      2  -0.162752D+01  0.170113D+01 -0.441864D+01 -0.329832D+00 -0.253230D+01
      3   0.287359D+01  0.296884D+01  0.303683D+01  0.148749D+01 -0.348020D+01
      4  -0.114333D+01 -0.460765D+01 -0.654640D+01 -0.801654D+01  0.218041D+01
      5  -0.604491D+01 -0.191498D+01  0.305448D+01  0.860152D+00  0.277683D+01
      6  -0.176075D+01 -0.637048D+00 -0.408268D+01 -0.171931D+01 -0.691081D+00
                61            62            63            64            65 
      1  -0.101470D+02  0.403195D+01 -0.497380D+00  0.944463D+00  0.596262D+01
      2   0.532397D+01 -0.218311D+01 -0.246139D+01  0.715929D+01  0.789459D+01
      3   0.482304D+01 -0.184884D+01  0.295877D+01 -0.810375D+01 -0.138572D+02
      4  -0.687186D+00  0.626337D+01  0.225380D+01  0.120979D+02  0.132504D+02
      5  -0.171565D+01  0.131503D+01  0.285572D+00  0.497049D+01  0.146345D+02
      6  -0.492130D+01 -0.167860D+01 -0.189772D+01 -0.122991D+00  0.795535D+01
                66            67            68            69            70 
      1  -0.674057D+01  0.284211D+01  0.102002D+02  0.989043D+01  0.791791D+00
      2   0.518455D+01  0.765078D+01 -0.346524D+01 -0.114097D+02  0.193968D+01
      3   0.155603D+01 -0.104929D+02 -0.673496D+01  0.151928D+01 -0.273148D+01
      4   0.127671D+02  0.151352D+02  0.189317D+02 -0.357633D+01  0.181617D+02
      5  -0.159516D+02  0.549412D+01 -0.727783D+01 -0.339721D+00 -0.140887D+02
      6  -0.827709D+01  0.489443D+01 -0.638771D+01 -0.878429D+00 -0.108351D+02
                71            72            73            74            75 
      1   0.203526D+02 -0.121411D+02 -0.760282D+01  0.185455D+02  0.152195D+02
      2  -0.169302D+02  0.877053D+01 -0.919805D+00 -0.896815D+01 -0.932324D+01
      3  -0.342240D+01  0.337058D+01  0.852263D+01 -0.957739D+01 -0.589625D+01
      4  -0.103896D+01 -0.454672D+01  0.231986D+02 -0.178084D+01  0.347417D+01
      5  -0.173197D+01  0.668861D+01  0.215489D+02  0.436339D+01  0.138302D+02
      6  -0.360503D+01  0.323017D+01  0.515976D+01  0.121081D+01  0.271188D+01
                76            77            78            79            80 
      1   0.305989D+02  0.718448D+01  0.600358D+00  0.260419D+02 -0.358564D+01
      2  -0.140672D+02 -0.710517D+01  0.330835D+01 -0.119086D+02  0.505910D+01
      3  -0.165317D+02 -0.793158D-01 -0.390871D+01 -0.141332D+02 -0.147346D+01
      4   0.875507D+01 -0.117782D+02  0.153830D+02 -0.393193D+01  0.103019D+02
      5   0.561136D+01  0.174997D+02 -0.978956D+01  0.923186D+01 -0.707007D+01
      6  -0.285212D+00 -0.180111D+01  0.188957D+01  0.195259D+01  0.183648D+01
                81            82            83            84            85 
      1   0.170415D+02  0.324657D+01 -0.367348D+01  0.181889D+01 -0.222323D+01
      2   0.179109D+01  0.443860D+01  0.106912D+02 -0.266846D+01  0.100357D+02
      3  -0.188326D+02 -0.768517D+01 -0.701771D+01  0.849564D+00 -0.781251D+01
      4  -0.602673D+01  0.981507D+01  0.168338D+02 -0.312636D+01  0.158244D+02
      5  -0.123819D+02 -0.236335D+01 -0.460133D+01  0.337172D+01 -0.533638D+01
      6  -0.359905D+01 -0.227037D+01 -0.705830D+01  0.350656D+01 -0.765822D+01
                86            87            88            89            90 
      1  -0.224734D+02  0.654538D+01  0.240883D+01  0.622920D+00 -0.527275D+01
      2   0.434437D+02 -0.638222D+01 -0.684221D+00  0.375114D+01  0.195458D+01
      3  -0.209703D+02 -0.163162D+00 -0.172461D+01 -0.437406D+01  0.331817D+01
      4   0.300000D+02 -0.710177D+01  0.174758D+01  0.117113D+01  0.329311D+01
      5  -0.807703D+01  0.506843D+01  0.131073D+01  0.292623D+01 -0.190881D+01
      6  -0.204676D+02  0.112210D+02  0.162115D+01  0.623606D+01 -0.341348D+01
                91            92            93            94            95 
      1  -0.512850D+00 -0.226081D+00 -0.508234D+01 -0.261103D+01 -0.374489D+01
      2  -0.254218D+01  0.101016D+01 -0.324486D+01  0.206119D+01  0.148004D+01
      3   0.305503D+01 -0.784083D+00  0.832720D+01  0.549842D+00  0.226485D+01
      4  -0.109939D+01  0.188500D+01 -0.135741D+01  0.228142D+01  0.179336D+01
      5   0.192829D+01 -0.282788D+00  0.460407D+01  0.171448D+01 -0.178229D+01
      6   0.437165D+00  0.336812D+00 -0.309324D+01 -0.133259D+01 -0.778796D+00
                96            97            98            99           100 
      1  -0.384298D+01 -0.260442D+01  0.542216D+01 -0.307941D+02  0.556259D+01
      2  -0.620702D+01 -0.634593D-02 -0.232350D+01 -0.207846D+02 -0.522857D+01
      3   0.100500D+02  0.261077D+01 -0.309866D+01  0.515787D+02 -0.334014D+00
      4  -0.183466D+01 -0.162908D+01 -0.292560D+01  0.778240D+00  0.282097D+01
      5  -0.201143D+01  0.560084D+01  0.133732D+01 -0.101443D+02  0.393754D+01
      6   0.483645D+01 -0.374106D+00  0.857596D+01 -0.158002D+02 -0.226952D+00
               101           102           103           104           105 
      1   0.217728D+01  0.655036D+01  0.406965D+01 -0.261662D+01  0.256597D+01
      2  -0.111677D+01 -0.206453D+01 -0.200230D+01  0.322428D+00  0.608644D+00
      3  -0.106052D+01 -0.448583D+01 -0.206736D+01  0.229420D+01 -0.317462D+01
      4   0.396105D+00  0.384299D+00  0.303855D+01 -0.276726D+01  0.284852D+01
      5   0.110142D+01  0.322446D+01  0.503784D+00  0.266013D+01 -0.432746D+01
      6  -0.842103D+00  0.419678D+00  0.152261D+01 -0.194293D+01  0.643059D+01
               106           107           108           109           110 
      1   0.706737D+01  0.136913D+01 -0.116059D+02  0.752450D+02  0.188174D+02
      2  -0.107542D+02  0.481860D+00 -0.214414D+02 -0.368363D+02 -0.872265D+01
      3   0.368682D+01 -0.185098D+01  0.330474D+02 -0.384087D+02 -0.100947D+02
      4  -0.131184D+01  0.608563D+01 -0.261711D+01  0.224175D+02  0.149337D+02
      5   0.187660D+02 -0.318374D+01  0.453294D+02  0.643026D+01  0.226253D+01
      6  -0.181084D+01  0.573829D+01 -0.670251D+01  0.253384D+01  0.142526D+01
               111           112           113           114           115 
      1   0.193327D+01  0.309746D+02  0.114299D+02  0.134792D+01 -0.137694D+02
      2  -0.233134D+01 -0.138146D+02 -0.256273D+01 -0.150765D+01  0.540874D+01
      3   0.398068D+00 -0.171600D+02 -0.886712D+01  0.159730D+00  0.836066D+01
      4   0.141315D+01  0.169869D+02  0.114580D+02 -0.795478D+00 -0.298286D+01
      5   0.996940D+01  0.420267D+01 -0.857128D+00  0.442619D+01  0.107577D+02
      6   0.729566D+00  0.174949D+01  0.115312D+01  0.160921D+01  0.431515D+00
               116           117           118           119           120 
      1  -0.242935D+01  0.618742D+01 -0.396956D+01 -0.972941D+01  0.231858D+01
      2   0.102106D+01 -0.531415D+01  0.420917D+01  0.140200D+02 -0.261380D+01
      3   0.140829D+01 -0.873273D+00 -0.239613D+00 -0.429059D+01  0.295216D+00
      4  -0.500510D+01  0.230224D+01  0.282326D+01 -0.282762D+01  0.176972D+01
      5   0.230107D+01  0.162280D+01 -0.186874D+00  0.298065D+01  0.341517D+00
      6   0.158141D+01 -0.799525D+00 -0.153541D+01 -0.283735D+01  0.192300D+01
               121           122           123           124           125 
      1  -0.594027D+01 -0.246981D+02  0.468763D+01  0.357553D+01  0.102912D+02
      2   0.492133D+01  0.388117D+02 -0.621609D+01 -0.272946D+01 -0.123641D+02
      3   0.101895D+01 -0.141136D+02  0.152846D+01 -0.846063D+00  0.207283D+01
      4   0.437748D+01 -0.193341D+02  0.150348D+01  0.847256D+00  0.476312D+01
      5   0.178040D+01  0.274740D+01 -0.496195D+01  0.353542D+01 -0.472580D+01
      6  -0.143270D+01 -0.604348D+01  0.704891D+01 -0.612851D+00  0.884029D+01
               126           127           128           129           130 
      1  -0.395883D+01  0.161927D+02 -0.437777D+01 -0.653742D+01 -0.194380D+00
      2   0.416428D+01 -0.100336D+02  0.158315D+01  0.476444D+01 -0.141452D+01
      3  -0.205450D+00 -0.615912D+01  0.279462D+01  0.177298D+01  0.160890D+01
      4  -0.376604D+01 -0.136109D+02  0.109902D+02  0.113710D+02  0.896962D+01
      5   0.208790D+01 -0.169035D+02  0.102571D+02  0.188243D+02  0.603021D+01
      6  -0.450888D+01  0.803960D+01 -0.680594D+01 -0.854274D+01 -0.545709D+01
               131           132           133           134           135 
      1  -0.217364D+01  0.655397D+00 -0.116476D+02  0.251097D+01  0.339641D+01
      2   0.552500D+01  0.132473D+01  0.808701D+01  0.201465D-01 -0.980209D+01
      3  -0.335136D+01 -0.198012D+01  0.356058D+01 -0.253111D+01  0.640567D+01
      4  -0.126573D+02 -0.880269D+01  0.172607D+02 -0.160089D+02 -0.159612D+02
      5  -0.850526D+01 -0.644343D+01  0.225544D+02 -0.147830D+02 -0.295955D+02
      6   0.679040D+01  0.798073D+01 -0.120575D+02  0.130253D+02  0.177109D+02
               136           137           138           139           140 
      1  -0.513976D+00  0.225496D+00 -0.508672D+01  0.261211D+01 -0.374526D+01
      2  -0.254210D+01 -0.100861D+01 -0.324967D+01 -0.205951D+01  0.147851D+01
      3   0.305608D+01  0.783113D+00  0.833639D+01 -0.552601D+00  0.226675D+01
      4   0.109949D+01  0.188371D+01  0.135663D+01  0.228145D+01 -0.179183D+01
      5   0.193181D+01  0.282191D+00  0.460335D+01 -0.171447D+01 -0.178172D+01
      6  -0.437593D+00  0.337919D+00  0.309403D+01 -0.133231D+01  0.776290D+00
               141           142           143           144           145 
      1   0.384718D+01 -0.260830D+01 -0.541630D+01 -0.307925D+02  0.324693D+01
      2   0.620779D+01 -0.107844D-01  0.232480D+01 -0.207840D+02  0.443731D+01
      3  -0.100550D+02  0.261908D+01  0.309150D+01  0.515765D+02 -0.768424D+01
      4  -0.183459D+01  0.162760D+01 -0.292378D+01 -0.774931D+00 -0.981593D+01
      5   0.201059D+01  0.559834D+01 -0.133495D+01 -0.101323D+02 -0.236674D+01
      6   0.483734D+01  0.376908D+00  0.857202D+01  0.157841D+02  0.227396D+01
               146           147           148           149           150 
      1   0.367433D+01  0.181938D+01  0.222289D+01 -0.224699D+02 -0.654958D+01
      2  -0.106886D+02 -0.266950D+01 -0.100311D+02  0.434271D+02  0.638655D+01
      3   0.701426D+01  0.850118D+00  0.780821D+01 -0.209572D+02  0.163025D+00
      4   0.168322D+02  0.313018D+01  0.158213D+02 -0.299908D+02 -0.710616D+01
      5   0.460495D+01  0.337375D+01  0.533937D+01 -0.808157D+01 -0.507115D+01
      6  -0.706208D+01 -0.350917D+01 -0.766206D+01  0.204769D+02  0.112260D+02
               151           152           153           154           155 
      1   0.240798D+01 -0.627806D+00 -0.527438D+01 -0.396510D+01  0.971820D+01
      2  -0.685957D+00 -0.374220D+01  0.195388D+01  0.420371D+01 -0.140040D+02
      3  -0.172202D+01  0.437001D+01  0.332050D+01 -0.238617D+00  0.428576D+01
      4  -0.174395D+01  0.116413D+01 -0.329352D+01 -0.282177D+01 -0.282307D+01
      5   0.131110D+01 -0.292711D+01 -0.191070D+01 -0.186423D+00 -0.298127D+01
      6  -0.162212D+01  0.623824D+01  0.341726D+01  0.153824D+01 -0.284323D+01
               156           157           158           159           160 
      1   0.232373D+01  0.593392D+01 -0.246899D+02 -0.469780D+01  0.358016D+01
      2  -0.261792D+01 -0.491214D+01  0.388007D+02  0.622858D+01 -0.273143D+01
      3   0.294188D+00 -0.102178D+01 -0.141107D+02 -0.153078D+01 -0.848728D+00
      4  -0.176983D+01  0.438158D+01  0.193416D+02  0.151214D+01 -0.843171D+00
      5   0.340870D+00 -0.177899D+01  0.275594D+01  0.496523D+01  0.353485D+01
      6  -0.192353D+01 -0.143328D+01  0.606304D+01  0.705467D+01  0.612593D+00
               161           162           163           164           165 
      1  -0.103033D+02 -0.396670D+01  0.161754D+02  0.437277D+01 -0.652992D+01
      2   0.123793D+02  0.417049D+01 -0.100216D+02 -0.157823D+01  0.475531D+01
      3  -0.207604D+01 -0.203788D+00 -0.615376D+01 -0.279454D+01  0.177461D+01
      4   0.477671D+01  0.377213D+01  0.136028D+02  0.109900D+02 -0.113696D+02
      5   0.473244D+01  0.209532D+01 -0.168891D+02 -0.102563D+02  0.188125D+02
      6   0.885021D+01  0.451997D+01 -0.803634D+01 -0.680571D+01  0.853932D+01
               166           167           168           169           170 
      1   0.194334D+00 -0.217667D+01 -0.654793D+00 -0.116410D+02 -0.250727D+01
      2   0.141639D+01  0.553066D+01 -0.132546D+01  0.807772D+01 -0.243229D-01
      3  -0.161073D+01 -0.335399D+01  0.198026D+01  0.356324D+01  0.253159D+01
      4   0.897290D+01  0.126666D+02 -0.880516D+01 -0.172608D+02 -0.160143D+02
      5  -0.603250D+01 -0.850743D+01  0.644862D+01  0.225442D+02  0.147883D+02
      6  -0.545884D+01 -0.679505D+01  0.798571D+01  0.120567D+02  0.130324D+02
               171           172           173           174           175 
      1   0.338542D+01  0.556952D+01 -0.218138D+01  0.654683D+01 -0.407300D+01
      2  -0.979090D+01 -0.523389D+01  0.111863D+01 -0.206995D+01  0.200461D+01
      3   0.640548D+01 -0.335628D+00  0.106275D+01 -0.447688D+01  0.206840D+01
      4   0.159652D+02 -0.282262D+01  0.399403D+00 -0.384166D+00  0.304057D+01
      5  -0.295931D+02  0.394328D+01 -0.110081D+01  0.323698D+01 -0.505695D+00
      6  -0.177174D+02  0.225823D+00 -0.840046D+00 -0.416723D+00  0.152369D+01
               176           177           178           179           180 
      1  -0.261282D+01 -0.255951D+01  0.707024D+01 -0.136307D+01 -0.115880D+02
      2   0.320277D+00 -0.607222D+00 -0.107637D+02 -0.479264D+00 -0.214527D+02
      3   0.229254D+01  0.316673D+01  0.369348D+01  0.184234D+01  0.330407D+02
      4   0.276412D+01  0.284883D+01  0.130849D+01  0.608678D+01  0.260589D+01
      5   0.266071D+01  0.431613D+01  0.187849D+02  0.317238D+01  0.453488D+02
      6   0.193764D+01  0.642719D+01  0.180805D+01  0.573545D+01  0.668566D+01
               181           182           183           184           185 
      1   0.752350D+02 -0.188213D+02  0.191094D+01 -0.309750D+02  0.114315D+02
      2  -0.368280D+02  0.872309D+01 -0.231905D+01  0.138125D+02 -0.256210D+01
      3  -0.384071D+02  0.100982D+02  0.408114D+00  0.171625D+02 -0.886936D+01
      4  -0.224241D+02  0.149361D+02 -0.140576D+01  0.169912D+02 -0.114596D+02
      5   0.639808D+01 -0.225428D+01  0.996632D+01 -0.418925D+01 -0.863984D+00
      6  -0.252882D+01  0.142302D+01 -0.729128D+00  0.174557D+01 -0.114962D+01
               186           187           188           189 
      1  -0.133962D+01 -0.137981D+02  0.243701D+01  0.619120D+01
      2   0.150394D+01  0.542389D+01 -0.102409D+01 -0.531567D+01
      3  -0.164326D+00  0.837423D+01 -0.141293D+01 -0.875529D+00
      4  -0.801573D+00  0.299262D+01 -0.501274D+01 -0.230618D+01
      5  -0.442675D+01  0.107611D+02 -0.230481D+01  0.161215D+01
      6   0.160898D+01 -0.431973D+00  0.158118D+01  0.800007D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 17:51:37 2021, MaxMem= 10737418240 cpu:           11874.1 elap:             743.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.31095 -10.31056 -10.31042 -10.29842 -10.29840
 Alpha  occ. eigenvalues --  -10.29821 -10.29821 -10.29807 -10.29806  -0.99862
 Alpha  occ. eigenvalues --   -0.95840  -0.90442  -0.85595  -0.69366  -0.69168
 Alpha  occ. eigenvalues --   -0.66809  -0.64948  -0.60676  -0.58913  -0.56374
 Alpha  occ. eigenvalues --   -0.56103  -0.53620  -0.53136  -0.46340  -0.44847
 Alpha  occ. eigenvalues --   -0.44771  -0.42767  -0.40567  -0.38666  -0.38303
 Alpha  occ. eigenvalues --   -0.34571  -0.34119  -0.33893
 Alpha virt. eigenvalues --    0.08965   0.10497   0.10715   0.11240   0.12444
 Alpha virt. eigenvalues --    0.13149   0.13294   0.14379   0.15680   0.16158
 Alpha virt. eigenvalues --    0.17459   0.17647   0.19095   0.19112   0.19966
 Alpha virt. eigenvalues --    0.21819   0.22059   0.23277   0.23636   0.24603
 Alpha virt. eigenvalues --    0.25244   0.25454   0.26169   0.26411   0.26709
 Alpha virt. eigenvalues --    0.27814   0.28209   0.28344   0.29218   0.30005
 Alpha virt. eigenvalues --    0.30093   0.31991   0.32123   0.33999   0.35036
 Alpha virt. eigenvalues --    0.35705   0.37160   0.37206   0.37696   0.38827
 Alpha virt. eigenvalues --    0.39674   0.39996   0.40357   0.40792   0.41131
 Alpha virt. eigenvalues --    0.41613   0.42291   0.42377   0.43234   0.43718
 Alpha virt. eigenvalues --    0.44101   0.44135   0.45560   0.45724   0.45743
 Alpha virt. eigenvalues --    0.46597   0.47129   0.47367   0.48021   0.48056
 Alpha virt. eigenvalues --    0.48854   0.49513   0.50004   0.50221   0.50288
 Alpha virt. eigenvalues --    0.50587   0.51384   0.51805   0.52106   0.52522
 Alpha virt. eigenvalues --    0.52733   0.52741   0.54176   0.54256   0.54372
 Alpha virt. eigenvalues --    0.55585   0.55946   0.56109   0.56441   0.56697
 Alpha virt. eigenvalues --    0.56854   0.57755   0.59168   0.59862   0.60071
 Alpha virt. eigenvalues --    0.60114   0.62313   0.62476   0.63060   0.63712
 Alpha virt. eigenvalues --    0.63851   0.65403   0.66798   0.67007   0.67943
 Alpha virt. eigenvalues --    0.68171   0.70866   0.71608   0.73771   0.74936
 Alpha virt. eigenvalues --    0.75622   0.76307   0.77173   0.78804   0.80178
 Alpha virt. eigenvalues --    0.80886   0.81508   0.82816   0.83369   0.85205
 Alpha virt. eigenvalues --    0.88935   0.90827   0.91275   0.94165   0.94573
 Alpha virt. eigenvalues --    0.95632   0.96662   0.98634   1.01169   1.03173
 Alpha virt. eigenvalues --    1.04574   1.05081   1.06723   1.06868   1.07189
 Alpha virt. eigenvalues --    1.08730   1.08840   1.09386   1.09563   1.10986
 Alpha virt. eigenvalues --    1.13414   1.13585   1.17019   1.17376   1.18669
 Alpha virt. eigenvalues --    1.20214   1.23274   1.24114   1.25228   1.25795
 Alpha virt. eigenvalues --    1.26912   1.28143   1.29086   1.29256   1.31467
 Alpha virt. eigenvalues --    1.31917   1.32500   1.34025   1.36208   1.38414
 Alpha virt. eigenvalues --    1.44214   1.45487   1.48683   1.49391   1.54741
 Alpha virt. eigenvalues --    1.55682   1.58951   1.60006   1.63521   1.63687
 Alpha virt. eigenvalues --    1.65539   1.66924   1.70567   1.71378   1.74667
 Alpha virt. eigenvalues --    1.76709   1.78680   1.82729   1.84071   1.84111
 Alpha virt. eigenvalues --    1.85151   1.86748   1.86867   1.88711   1.89487
 Alpha virt. eigenvalues --    1.89643   1.93686   1.94713   1.95652   1.95825
 Alpha virt. eigenvalues --    1.99304   2.02436   2.03579   2.07183   2.09890
 Alpha virt. eigenvalues --    2.10499   2.11249   2.11721   2.11950   2.13199
 Alpha virt. eigenvalues --    2.14987   2.15679   2.18931   2.20732   2.22592
 Alpha virt. eigenvalues --    2.23212   2.23815   2.24265   2.28035   2.29130
 Alpha virt. eigenvalues --    2.30481   2.32314   2.37834   2.37897   2.46782
 Alpha virt. eigenvalues --    2.48280   2.48482   2.48878   2.50989   2.53303
 Alpha virt. eigenvalues --    2.55557   2.58675   2.59169   2.59870   2.60150
 Alpha virt. eigenvalues --    2.62214   2.65624   2.68279   2.69351   2.72760
 Alpha virt. eigenvalues --    2.74505   2.75253   2.87303   2.87440   2.87918
 Alpha virt. eigenvalues --    2.88792   2.97062   3.03066   3.07450   3.08613
 Alpha virt. eigenvalues --    3.08767   3.10244   3.15133   3.15870   3.18070
 Alpha virt. eigenvalues --    3.20426   3.26967   3.29313   3.30436   3.33358
 Alpha virt. eigenvalues --    3.34332   3.37899   3.39161
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.502395  -0.224556  -0.369649  -0.061242  -0.047343  -0.060637
     2  C   -0.224556   7.680439  -0.186728  -0.112745  -0.240031  -0.005915
     3  C   -0.369649  -0.186728   7.889060  -0.116574  -0.058718  -0.369229
     4  C   -0.061242  -0.112745  -0.116574   5.098753   0.019516  -0.029580
     5  C   -0.047343  -0.240031  -0.058718   0.019516   5.115431   0.020452
     6  C   -0.060637  -0.005915  -0.369229  -0.029580   0.020452   5.501288
     7  C   -0.005842  -0.219211  -0.187173   0.003114  -0.026161  -0.223864
     8  C    0.020458  -0.026198  -0.058748   0.000603  -0.000526  -0.047243
     9  C   -0.029586   0.003104  -0.116598   0.000308   0.000599  -0.061389
    10  H    0.255955   0.002438   0.004001  -0.052763   0.041363  -0.043135
    11  H    0.004394   0.099548   0.104584   0.037998  -0.052501   0.026430
    12  H    0.034330   0.034482  -0.029158   0.105788   0.134628   0.016149
    13  H   -0.053435  -0.005301  -0.008935   0.307026   0.033551  -0.003661
    14  H    0.041260   0.008278  -0.034688   0.137873   0.090211   0.000200
    15  H   -0.061809   0.018048  -0.002205   0.011191   0.325347  -0.000491
    16  H    0.026511   0.000928   0.104331   0.020701  -0.000118   0.004466
    17  H   -0.043139  -0.009815   0.004171  -0.004937  -0.000059   0.255882
    18  H    0.000189   0.021033  -0.034595  -0.000068   0.002756   0.041205
    19  H   -0.000488  -0.002286  -0.002205   0.000162   0.000392  -0.061787
    20  H    0.016149  -0.004386  -0.029153   0.000298   0.000321   0.034325
    21  H   -0.003660  -0.001941  -0.008926  -0.000044  -0.000213  -0.053450
               7          8          9         10         11         12
     1  C   -0.005842   0.020458  -0.029586   0.255955   0.004394   0.034330
     2  C   -0.219211  -0.026198   0.003104   0.002438   0.099548   0.034482
     3  C   -0.187173  -0.058748  -0.116598   0.004001   0.104584  -0.029158
     4  C    0.003114   0.000603   0.000308  -0.052763   0.037998   0.105788
     5  C   -0.026161  -0.000526   0.000599   0.041363  -0.052501   0.134628
     6  C   -0.223864  -0.047243  -0.061389  -0.043135   0.026430   0.016149
     7  C    7.680109  -0.240126  -0.112604  -0.009813   0.001082  -0.004374
     8  C   -0.240126   5.115762   0.019247  -0.000058  -0.000127   0.000322
     9  C   -0.112604   0.019247   5.099008  -0.004933   0.020680   0.000298
    10  H   -0.009813  -0.000058  -0.004933   1.270469  -0.309372   0.000253
    11  H    0.001082  -0.000127   0.020680  -0.309372   1.291985  -0.002074
    12  H   -0.004374   0.000322   0.000298   0.000253  -0.002074   1.119999
    13  H   -0.001944  -0.000213  -0.000044   0.014722  -0.002260  -0.186371
    14  H    0.021029   0.002770  -0.000068  -0.001145  -0.001718  -0.003105
    15  H   -0.002285   0.000388   0.000161  -0.002482   0.017017   0.007522
    16  H    0.099567  -0.052493   0.038007  -0.004094  -0.000065  -0.001368
    17  H    0.002307   0.041397  -0.052832   0.024629  -0.004100  -0.000111
    18  H    0.008309   0.090245   0.137836  -0.000237   0.001551   0.000383
    19  H    0.018084   0.325241   0.011276   0.000290  -0.000765   0.000136
    20  H    0.034528   0.134578   0.105833  -0.000110  -0.001366   0.000028
    21  H   -0.005356   0.033606   0.307001   0.000584   0.000373  -0.000004
              13         14         15         16         17         18
     1  C   -0.053435   0.041260  -0.061809   0.026511  -0.043139   0.000189
     2  C   -0.005301   0.008278   0.018048   0.000928  -0.009815   0.021033
     3  C   -0.008935  -0.034688  -0.002205   0.104331   0.004171  -0.034595
     4  C    0.307026   0.137873   0.011191   0.020701  -0.004937  -0.000068
     5  C    0.033551   0.090211   0.325347  -0.000118  -0.000059   0.002756
     6  C   -0.003661   0.000200  -0.000491   0.004466   0.255882   0.041205
     7  C   -0.001944   0.021029  -0.002285   0.099567   0.002307   0.008309
     8  C   -0.000213   0.002770   0.000388  -0.052493   0.041397   0.090245
     9  C   -0.000044  -0.000068   0.000161   0.038007  -0.052832   0.137836
    10  H    0.014722  -0.001145  -0.002482  -0.004094   0.024629  -0.000237
    11  H   -0.002260  -0.001718   0.017017  -0.000065  -0.004100   0.001551
    12  H   -0.186371  -0.003105   0.007522  -0.001368  -0.000111   0.000383
    13  H    1.101121   0.010005  -0.017430   0.000374   0.000584  -0.000087
    14  H    0.010005   1.181258  -0.206829   0.001554  -0.000237   0.000551
    15  H   -0.017430  -0.206829   1.093209  -0.000765   0.000291   0.000042
    16  H    0.000374   0.001554  -0.000765   1.292845  -0.309674  -0.001725
    17  H    0.000584  -0.000237   0.000291  -0.309674   1.270848  -0.001144
    18  H   -0.000087   0.000551   0.000042  -0.001725  -0.001144   1.181080
    19  H    0.000011   0.000041  -0.000184   0.017030  -0.002482  -0.206699
    20  H   -0.000004   0.000384   0.000135  -0.002070   0.000250  -0.003128
    21  H    0.000005  -0.000087   0.000011  -0.002265   0.014733   0.010020
              19         20         21
     1  C   -0.000488   0.016149  -0.003660
     2  C   -0.002286  -0.004386  -0.001941
     3  C   -0.002205  -0.029153  -0.008926
     4  C    0.000162   0.000298  -0.000044
     5  C    0.000392   0.000321  -0.000213
     6  C   -0.061787   0.034325  -0.053450
     7  C    0.018084   0.034528  -0.005356
     8  C    0.325241   0.134578   0.033606
     9  C    0.011276   0.105833   0.307001
    10  H    0.000290  -0.000110   0.000584
    11  H   -0.000765  -0.001366   0.000373
    12  H    0.000136   0.000028  -0.000004
    13  H    0.000011  -0.000004   0.000005
    14  H    0.000041   0.000384  -0.000087
    15  H   -0.000184   0.000135   0.000011
    16  H    0.017030  -0.002070  -0.002265
    17  H   -0.002482   0.000250   0.014733
    18  H   -0.206699  -0.003128   0.010020
    19  H    1.092987   0.007508  -0.017408
    20  H    0.007508   1.119992  -0.186376
    21  H   -0.017408  -0.186376   1.101134
 Mulliken charges:
               1
     1  C    1.059744
     2  C   -0.829187
     3  C   -0.492866
     4  C    0.634621
     5  C    0.641105
     6  C    1.059982
     7  C   -0.829378
     8  C    0.641116
     9  C    0.634695
    10  H   -0.186564
    11  H   -0.231295
    12  H   -0.227755
    13  H   -0.187716
    14  H   -0.247536
    15  H   -0.178884
    16  H   -0.231675
    17  H   -0.186563
    18  H   -0.247514
    19  H   -0.178854
    20  H   -0.227737
    21  H   -0.187738
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.641885
     2  C   -0.829187
     3  C   -0.492866
     4  C    0.219149
     5  C    0.214685
     6  C    0.641744
     7  C   -0.829378
     8  C    0.214747
     9  C    0.219220
 Electronic spatial extent (au):  <R**2>=           1250.3770
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0083    Z=             -0.0000  Tot=              0.0083
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.0965   YY=            -54.6903   ZZ=            -53.5524
   XY=              0.0006   XZ=             -0.8647   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6501   YY=             -0.2439   ZZ=              0.8940
   XY=              0.0006   XZ=             -0.8647   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0018  YYY=              0.8006  ZZZ=             -0.0008  XYY=             -0.0015
  XXY=              5.4955  XXZ=             -0.0002  XZZ=             -0.0004  YZZ=             -1.4345
  YYZ=             -0.0005  XYZ=              0.9421
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1119.5471 YYYY=           -342.6542 ZZZZ=           -242.1811 XXXY=             -0.0010
 XXXZ=            -14.1692 YYYX=              0.0077 YYYZ=              0.0048 ZZZX=              3.0475
 ZZZY=             -0.0036 XXYY=           -254.9125 XXZZ=           -227.4758 YYZZ=           -103.9502
 XXYZ=              0.0036 YYXZ=             -6.6780 ZZXY=              0.0002
 N-N= 4.312844331051D+02 E-N=-1.669632169889D+03  KE= 3.452891828421D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 17:51:38 2021, MaxMem= 10737418240 cpu:               4.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7195   -0.7200       -0.0001   -0.0001
 2      0.7195    0.7200       -0.0001   -0.0001      -11.0006  -10.9955
 3      0.0001    0.0001       13.5754   13.5701        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        0.0002    0.0001
 5     -2.5748   -2.5746       -0.0002   -0.0001       -0.7192   -0.7200
 6     -0.0001   -0.0001        0.7192    0.7200       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.1599    2.1599       -0.0004   -0.0004
 2      0.0002    0.0002       -0.0000    0.0000       -0.0004   -0.0004
 3      0.0002    0.0002        2.1599    2.1599        0.0000    0.0000
 4      2.1599    2.1599       -0.0002   -0.0002      -32.9865  -32.9865
 5      0.0004    0.0004       40.7102   40.7102        0.0002    0.0002
 6     -7.7238   -7.7238       -0.0004   -0.0004       -2.1599   -2.1599
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0004    0.0000        2.6786    2.8798        0.0005    0.0006
 2     -3.1113   -2.8798        0.0003    0.0003       43.9657   43.9819
 3     -0.0017   -0.0006      -54.3588  -54.2803       -0.0007   -0.0003
 4     -0.0003   -0.0003        0.1014    0.0000       -0.0009   -0.0006
 5      9.7902   10.2984        0.0012    0.0006        2.8628    2.8798
 6      0.0006    0.0003       -2.8744   -2.8798        0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0003    0.0000       26.2820   26.3060        0.0014    0.0016
 2    -26.2002  -26.3060        0.0046    0.0031       21.2015   21.1031
 3     -0.0012   -0.0016      -22.8833  -23.1232       -0.0021   -0.0031
 4     -0.0032   -0.0031        0.3078    0.0000       -0.0019   -0.0016
 5      2.4090    2.0200        0.0031    0.0016       26.5596   26.3060
 6      0.0032    0.0031      -26.5953  -26.3060        0.0007    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0086   -0.0068       42.9963   42.8754        0.0093    0.0097
 2     -0.0144   -0.0136       58.5146   57.8036        0.0089    0.0097
 3     -0.0145   -0.0136       43.6043   42.8754        0.0064    0.0071
 4    -14.9421  -14.9282        0.0080    0.0068        4.5638    4.4133
 5     -0.0019   -0.0026      -14.3881  -14.3508       -0.0050   -0.0068
 6     10.2812    9.9374        0.0036    0.0026       15.1637   14.9282
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      0.9346                 0.1086                 0.4283
  Dep-P Fr= 1--      0.5664                 0.7500                 0.3302
  Dep-U Fr= 1--      0.7232                 0.8571                 0.4964
 Alpha2 Fr= 1--      0.0032                 0.0000                 0.0040
 Beta2  Fr= 1--      0.1127                 0.0155                 0.0354
 AlphaG Fr= 1--      0.0019                -0.0000                -0.0144
 Gamma2 Fr= 1--     -0.2897                -0.2233                -0.4001
 Delta2 Fr= 1--     -0.1397                -0.1828                -0.1489
 Raman1 Fr= 1--       3.738                  0.435                  1.713
 ROA1   Fr= 1--     -32.285                -27.281                -43.178
 CID1   Fr= 1--      -8.636                -62.777                -25.203
 Raman2 Fr= 1--       1.352                  0.186                  0.425
 ROA2   Fr= 1--      -5.837                 -3.896                 -8.411
 CID2   Fr= 1--      -4.317                -20.919                -19.780
 Raman3 Fr= 1--       2.704                  0.372                  0.851
 ROA3   Fr= 1--     -32.285                -27.281                -43.178
 CID3   Fr= 1--     -11.941                -73.240                -50.767
 RC180  Fr= 1--       0.446                  0.714                 -0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      2.5899                 1.2566                 0.0605
  Dep-P Fr= 1--      0.5057                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6717                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0125                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2899                 0.1795                 0.0086
 AlphaG Fr= 1--      0.0045                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.2893                 0.9791                -0.0097
 Delta2 Fr= 1--     -0.1250                 0.2728                -0.0139
 Raman1 Fr= 1--      10.360                  5.026                  0.242
 ROA1   Fr= 1--     -31.774                102.720                 -1.375
 CID1   Fr= 1--      -3.067                 20.436                 -5.683
 Raman2 Fr= 1--       3.479                  2.154                  0.104
 ROA2   Fr= 1--      -5.943                 21.315                 -0.122
 CID2   Fr= 1--      -1.708                  9.895                 -1.176
 Raman3 Fr= 1--       6.959                  4.308                  0.207
 ROA3   Fr= 1--     -31.774                102.720                 -1.375
 CID3   Fr= 1--      -4.566                 23.842                 -6.630
 RC180  Fr= 1--       0.343                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.4522                 2.9663                 4.3178
  Dep-P Fr= 1--      0.7412                 0.7500                 0.5750
  Dep-U Fr= 1--      0.8514                 0.8571                 0.7301
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0142
 Beta2  Fr= 1--      0.3480                 0.4238                 0.5254
 AlphaG Fr= 1--      0.0019                 0.0000                 0.0003
 Gamma2 Fr= 1--     -1.4152                 0.0197                 0.8574
 Delta2 Fr= 1--      0.1020                 0.0127                 0.2720
 Raman1 Fr= 1--       9.809                 11.865                 17.271
 ROA1   Fr= 1--    -132.593                  2.302                 91.015
 CID1   Fr= 1--     -13.518                  0.194                  5.270
 Raman2 Fr= 1--       4.176                  5.085                  6.305
 ROA2   Fr= 1--     -34.781                  0.372                 18.402
 CID2   Fr= 1--      -8.330                  0.073                  2.919
 Raman3 Fr= 1--       8.351                 10.170                 12.610
 ROA3   Fr= 1--    -132.593                  2.302                 91.015
 CID3   Fr= 1--     -15.877                  0.226                  7.217
 RC180  Fr= 1--       0.703                  0.714                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     19.3413                15.1636                10.2548
  Dep-P Fr= 1--      0.1741                 0.7500                 0.6574
  Dep-U Fr= 1--      0.2965                 0.8571                 0.7933
 Alpha2 Fr= 1--      0.2811                 0.0000                 0.0170
 Beta2  Fr= 1--      0.9559                 2.1662                 1.3558
 AlphaG Fr= 1--      0.0931                 0.0000                 0.0051
 Gamma2 Fr= 1--     -0.4634                -0.5687                 2.5948
 Delta2 Fr= 1--     -0.8051                 3.0094                -1.8567
 Raman1 Fr= 1--      77.365                 60.654                 41.019
 ROA1   Fr= 1--     -70.250                 41.702                189.691
 CID1   Fr= 1--      -0.908                  0.688                  4.624
 Raman2 Fr= 1--      11.470                 25.995                 16.269
 ROA2   Fr= 1--      -4.680                -37.725                 77.130
 CID2   Fr= 1--      -0.408                 -1.451                  4.741
 Raman3 Fr= 1--      22.941                 51.989                 32.539
 ROA3   Fr= 1--     -70.250                 41.702                189.691
 CID3   Fr= 1--      -3.062                  0.802                  5.830
 RC180  Fr= 1--      -0.407                  0.714                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      0.9999                 0.9601                 3.4433
  Dep-P Fr= 1--      0.7500                 0.5858                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7388                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0029                 0.0000
 Beta2  Fr= 1--      0.1428                 0.1182                 0.4919
 AlphaG Fr= 1--      0.0000                 0.0092                 0.0000
 Gamma2 Fr= 1--      0.4748                -0.6787                -1.3526
 Delta2 Fr= 1--     -0.1321                -0.0073                -2.1112
 Raman1 Fr= 1--       4.000                  3.840                 13.773
 ROA1   Fr= 1--      41.357                -65.385               -197.404
 CID1   Fr= 1--      10.340                -17.025                -14.332
 Raman2 Fr= 1--       1.714                  1.419                  5.903
 ROA2   Fr= 1--      12.452                -16.230                -15.572
 CID2   Fr= 1--       7.265                -11.440                 -2.638
 Raman3 Fr= 1--       3.428                  2.837                 11.806
 ROA3   Fr= 1--      41.357                -65.385               -197.404
 CID3   Fr= 1--      12.064                -23.045                -16.721
 RC180  Fr= 1--       0.714                  0.478                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      8.7882                 8.0241                 2.7292
  Dep-P Fr= 1--      0.7314                 0.7500                 0.6955
  Dep-U Fr= 1--      0.8449                 0.8571                 0.8204
 Alpha2 Fr= 1--      0.0028                 0.0000                 0.0026
 Beta2  Fr= 1--      1.2375                 1.1463                 0.3732
 AlphaG Fr= 1--      0.0047                 0.0000                 0.0085
 Gamma2 Fr= 1--     -3.9809                -0.9625                 6.2067
 Delta2 Fr= 1--     -1.9630                -0.9965                 3.5968
 Raman1 Fr= 1--      35.153                 32.097                 10.917
 ROA1   Fr= 1--    -444.982               -124.288                710.942
 CID1   Fr= 1--     -12.658                 -3.872                 65.125
 Raman2 Fr= 1--      14.850                 13.756                  4.478
 ROA2   Fr= 1--     -79.838                -15.128                120.187
 CID2   Fr= 1--      -5.376                 -1.100                 26.840
 Raman3 Fr= 1--      29.700                 27.511                  8.956
 ROA3   Fr= 1--    -444.982               -124.288                710.942
 CID3   Fr= 1--     -14.983                 -4.518                 79.383
 RC180  Fr= 1--       0.690                  0.714                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.2123                 2.2438                 3.8404
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7158
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8344
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0023
 Beta2  Fr= 1--      0.0303                 0.3205                 0.5340
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0101
 Gamma2 Fr= 1--      0.8245                 2.5677                -1.7902
 Delta2 Fr= 1--      0.1543                 1.1466                -0.9259
 Raman1 Fr= 1--       0.849                  8.975                 15.362
 ROA1   Fr= 1--      84.086                283.186               -201.485
 CID1   Fr= 1--      99.034                 31.552                -13.116
 Raman2 Fr= 1--       0.364                  3.846                  6.409
 ROA2   Fr= 1--      18.553                 52.451                -35.556
 CID2   Fr= 1--      50.985                 13.636                 -5.548
 Raman3 Fr= 1--       0.728                  7.693                 12.817
 ROA3   Fr= 1--      84.086                283.186               -201.485
 CID3   Fr= 1--     115.540                 36.811                -15.720
 RC180  Fr= 1--       0.714                  0.714                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     54.2774                 0.6782                 2.8030
  Dep-P Fr= 1--      0.0312                 0.7500                 0.4764
  Dep-U Fr= 1--      0.0604                 0.8571                 0.6454
 Alpha2 Fr= 1--      1.1211                 0.0000                 0.0154
 Beta2  Fr= 1--      0.5468                 0.0969                 0.3015
 AlphaG Fr= 1--      0.0412                 0.0000                 0.0103
 Gamma2 Fr= 1--     -2.6160                -0.6943                -1.4789
 Delta2 Fr= 1--     -0.6991                -0.2452                -0.9781
 Raman1 Fr= 1--     217.110                  2.713                 11.212
 ROA1   Fr= 1--    -273.507                -74.500               -173.276
 CID1   Fr= 1--      -1.260                -27.461                -15.454
 Raman2 Fr= 1--       6.562                  1.163                  3.618
 ROA2   Fr= 1--     -57.192                -14.702                -27.670
 CID2   Fr= 1--      -8.716                -12.645                 -7.648
 Raman3 Fr= 1--      13.124                  2.325                  7.236
 ROA3   Fr= 1--    -273.507                -74.500               -173.276
 CID3   Fr= 1--     -20.841                -32.038                -23.947
 RC180  Fr= 1--      -0.879                  0.714                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      2.4046                 1.2410                 2.7810
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6954
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8204
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0027
 Beta2  Fr= 1--      0.3435                 0.1773                 0.3802
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0217
 Gamma2 Fr= 1--     -0.0403                 1.0893                 0.2455
 Delta2 Fr= 1--      1.8201                 0.3777                -0.3992
 Raman1 Fr= 1--       9.618                  4.964                 11.124
 ROA1   Fr= 1--      54.376                116.662                 10.790
 CID1   Fr= 1--       5.653                 23.501                  0.970
 Raman2 Fr= 1--       4.122                  2.127                  4.563
 ROA2   Fr= 1--     -15.527                 23.122                  9.085
 CID2   Fr= 1--      -3.767                 10.868                  1.991
 Raman3 Fr= 1--       8.244                  4.255                  9.126
 ROA3   Fr= 1--      54.376                116.662                 10.790
 CID3   Fr= 1--       6.596                 27.418                  1.182
 RC180  Fr= 1--       0.714                  0.714                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4358                 1.2812                 0.6771
  Dep-P Fr= 1--      0.7500                 0.7315                 0.3665
  Dep-U Fr= 1--      0.8571                 0.8449                 0.5364
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0056
 Beta2  Fr= 1--      0.0623                 0.1804                 0.0605
 AlphaG Fr= 1--     -0.0000                 0.0032                -0.0091
 Gamma2 Fr= 1--      0.1683                 0.0212                 0.8515
 Delta2 Fr= 1--     -0.1409                -0.4288                -0.0782
 Raman1 Fr= 1--       1.743                  5.125                  2.708
 ROA1   Fr= 1--      11.649                -11.686                 79.237
 CID1   Fr= 1--       6.682                 -2.280                 29.256
 Raman2 Fr= 1--       0.747                  2.165                  0.726
 ROA2   Fr= 1--       5.167                  3.939                 21.061
 CID2   Fr= 1--       6.915                  1.819                 28.992
 Raman3 Fr= 1--       1.494                  4.330                  1.453
 ROA3   Fr= 1--      11.649                -11.686                 79.237
 CID3   Fr= 1--       7.796                 -2.699                 54.538
 RC180  Fr= 1--       0.714                  0.690                  0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.5018                 2.7833                 1.0998
  Dep-P Fr= 1--      0.7500                 0.7469                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8551                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0717                 0.3967                 0.1571
 AlphaG Fr= 1--      0.0000                -0.0119                 0.0000
 Gamma2 Fr= 1--     -1.6516                 0.1543                -0.2930
 Delta2 Fr= 1--     -0.7027                 0.3630                 1.4876
 Raman1 Fr= 1--       2.007                 11.133                  4.399
 ROA1   Fr= 1--    -181.041                 26.426                 19.474
 CID1   Fr= 1--     -90.200                  2.374                  4.427
 Raman2 Fr= 1--       0.860                  4.760                  1.885
 ROA2   Fr= 1--     -34.018                  0.798                -18.932
 CID2   Fr= 1--     -39.547                  0.168                -10.042
 Raman3 Fr= 1--       1.720                  9.520                  3.771
 ROA3   Fr= 1--    -181.041                 26.426                 19.474
 CID3   Fr= 1--    -105.234                  2.776                  5.165
 RC180  Fr= 1--       0.714                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      1.1168                 0.0705                 1.6660
  Dep-P Fr= 1--      0.5998                 0.6994                 0.1015
  Dep-U Fr= 1--      0.7498                 0.8231                 0.1843
 Alpha2 Fr= 1--      0.0031                 0.0001                 0.0291
 Beta2  Fr= 1--      0.1396                 0.0097                 0.0512
 AlphaG Fr= 1--      0.0042                 0.0001                -0.0688
 Gamma2 Fr= 1--     -0.9341                 0.3578                 0.5223
 Delta2 Fr= 1--     -0.6243                -0.0245                -0.1279
 Raman1 Fr= 1--       4.467                  0.282                  6.664
 ROA1   Fr= 1--    -109.653                 33.566                 46.047
 CID1   Fr= 1--     -24.547                119.079                  6.910
 Raman2 Fr= 1--       1.675                  0.116                  0.614
 ROA2   Fr= 1--     -17.425                  8.784                 13.558
 CID2   Fr= 1--     -10.404                 75.715                 22.081
 Raman3 Fr= 1--       3.350                  0.232                  1.228
 ROA3   Fr= 1--    -109.653                 33.566                 46.047
 CID3   Fr= 1--     -32.737                144.666                 37.497
 RC180  Fr= 1--       0.500                  0.646                 -0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      2.2819                10.5555                11.4723
  Dep-P Fr= 1--      0.7500                 0.2960                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1096                 0.0000
 Beta2  Fr= 1--      0.3260                 0.8036                 1.6389
 AlphaG Fr= 1--      0.0000                 0.0559                -0.0000
 Gamma2 Fr= 1--      1.8235                 5.1792                -5.8990
 Delta2 Fr= 1--      1.3136                 1.3316                -2.1643
 Raman1 Fr= 1--       9.128                 42.222                 45.889
 ROA1   Fr= 1--     217.088                539.813               -635.560
 CID1   Fr= 1--      23.784                 12.785                -13.850
 Raman2 Fr= 1--       3.912                  9.643                 19.667
 ROA2   Fr= 1--      33.255                113.648               -124.261
 CID2   Fr= 1--       8.501                 11.786                 -6.318
 Raman3 Fr= 1--       7.824                 19.286                 39.334
 ROA3   Fr= 1--     217.088                539.813               -635.560
 CID3   Fr= 1--      27.748                 27.990                -16.158
 RC180  Fr= 1--       0.714                 -0.086                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      2.5893                15.8575                 4.6261
  Dep-P Fr= 1--      0.7500                 0.7464                 0.4158
  Dep-U Fr= 1--      0.8571                 0.8548                 0.5874
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0324
 Beta2  Fr= 1--      0.3699                 2.2591                 0.4529
 AlphaG Fr= 1--      0.0000                 0.0175                -0.0402
 Gamma2 Fr= 1--      1.4575                 0.1813                -0.3999
 Delta2 Fr= 1--     -0.2385                 1.8355                -0.3287
 Raman1 Fr= 1--      10.357                 63.430                 18.505
 ROA1   Fr= 1--     132.285                 76.143                -48.913
 CID1   Fr= 1--      12.772                  1.200                 -2.643
 Raman2 Fr= 1--       4.439                 27.109                  5.435
 ROA2   Fr= 1--      36.887                -10.332                 -6.969
 CID2   Fr= 1--       8.310                 -0.381                 -1.282
 Raman3 Fr= 1--       8.878                 54.219                 10.869
 ROA3   Fr= 1--     132.285                 76.143                -48.913
 CID3   Fr= 1--      14.901                  1.404                 -4.500
 RC180  Fr= 1--       0.714                  0.710                  0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3491                 4.6212                 2.1998
  Dep-P Fr= 1--      0.7500                 0.1937                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3246                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0638                 0.0000
 Beta2  Fr= 1--      0.0499                 0.2500                 0.3143
 AlphaG Fr= 1--     -0.0000                -0.0421                -0.0000
 Gamma2 Fr= 1--     -0.0120                 0.3006                 0.0216
 Delta2 Fr= 1--     -0.0116                -0.1186                 1.3129
 Raman1 Fr= 1--       1.396                 18.485                  8.799
 ROA1   Fr= 1--      -1.525                 25.062                 44.087
 CID1   Fr= 1--      -1.092                  1.356                  5.010
 Raman2 Fr= 1--       0.598                  3.000                  3.771
 ROA2   Fr= 1--      -0.196                  8.163                 -9.985
 CID2   Fr= 1--      -0.327                  2.721                 -2.648
 Raman3 Fr= 1--       1.197                  5.999                  7.542
 ROA3   Fr= 1--      -1.525                 25.062                 44.087
 CID3   Fr= 1--      -1.274                  4.177                  5.845
 RC180  Fr= 1--       0.714                 -0.351                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     23.2870               299.2726                20.9841
  Dep-P Fr= 1--      0.7401                 0.0301                 0.7479
  Dep-U Fr= 1--      0.8507                 0.0584                 0.8558
 Alpha2 Fr= 1--      0.0039                 6.1971                 0.0007
 Beta2  Fr= 1--      3.3015                 2.9145                 2.9930
 AlphaG Fr= 1--     -0.0005                -0.8408                 0.0006
 Gamma2 Fr= 1--    -23.2280                20.5637               -11.7886
 Delta2 Fr= 1--      1.0827                 5.8635               -11.6829
 Raman1 Fr= 1--      93.148               1197.090                 83.936
 ROA1   Fr= 1--   -2195.245               2161.753              -1505.560
 CID1   Fr= 1--     -23.567                  1.806                -17.937
 Raman2 Fr= 1--      39.619                 34.974                 35.916
 ROA2   Fr= 1--    -566.134                446.622               -189.463
 CID2   Fr= 1--     -14.290                 12.770                 -5.275
 Raman3 Fr= 1--      79.237                 69.948                 71.833
 ROA3   Fr= 1--   -2195.245               2161.753              -1505.560
 CID3   Fr= 1--     -27.705                 30.905                -20.959
 RC180  Fr= 1--       0.701                 -0.883                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    159.0076                 0.7345               450.4418
  Dep-P Fr= 1--      0.2380                 0.4447                 0.0153
  Dep-U Fr= 1--      0.3844                 0.6156                 0.0302
 Alpha2 Fr= 1--      1.9487                 0.0046                 9.6568
 Beta2  Fr= 1--     10.1881                 0.0754                 2.2691
 AlphaG Fr= 1--      1.0167                 0.0006                 0.5217
 Gamma2 Fr= 1--     17.6042                 1.7370                -6.1635
 Delta2 Fr= 1--      6.3666                 1.6157                 5.7800
 Raman1 Fr= 1--     636.031                  2.938               1801.767
 ROA1   Fr= 1--    1893.736                218.457               -406.740
 CID1   Fr= 1--       2.977                 74.353                 -0.226
 Raman2 Fr= 1--     122.258                  0.904                 27.230
 ROA2   Fr= 1--     371.568                 28.764               -194.165
 CID2   Fr= 1--       3.039                 31.806                 -7.131
 Raman3 Fr= 1--     244.515                  1.809                 54.460
 ROA3   Fr= 1--    1893.736                218.457               -406.740
 CID3   Fr= 1--       7.745                120.781                 -7.469
 RC180  Fr= 1--      -0.231                  0.231                 -0.940
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    128.8752                28.1756                56.3365
  Dep-P Fr= 1--      0.7314                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8449                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0410                 0.0000                 0.0000
 Beta2  Fr= 1--     18.1471                 4.0251                 8.0481
 AlphaG Fr= 1--     -0.0410                -0.0000                 0.0000
 Gamma2 Fr= 1--      5.8713               -15.9761                30.1104
 Delta2 Fr= 1--     -4.4800                -1.4508                43.3881
 Raman1 Fr= 1--     515.501                112.702                225.346
 ROA1   Fr= 1--     420.289              -1580.133               4279.015
 CID1   Fr= 1--       0.815                -14.020                 18.989
 Raman2 Fr= 1--     217.765                 48.301                 96.577
 ROA2   Fr= 1--     176.752               -371.820                375.544
 CID2   Fr= 1--       0.812                 -7.698                  3.889
 Raman3 Fr= 1--     435.529                 96.602                193.154
 ROA3   Fr= 1--     420.289              -1580.133               4279.015
 CID3   Fr= 1--       0.965                -16.357                 22.153
 RC180  Fr= 1--       0.690                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--     97.7066                29.1259                99.5549
  Dep-P Fr= 1--      0.7463                 0.7498                 0.6869
  Dep-U Fr= 1--      0.8547                 0.8570                 0.8144
 Alpha2 Fr= 1--      0.0062                 0.0001                 0.1103
 Beta2  Fr= 1--     13.9183                 4.1602                13.5128
 AlphaG Fr= 1--      0.1365                -0.0002                -0.3325
 Gamma2 Fr= 1--    -20.0917                 9.8326               -13.5437
 Delta2 Fr= 1--    -37.9410                 1.5803                -8.4213
 Raman1 Fr= 1--     390.827                116.504                398.220
 ROA1   Fr= 1--   -3142.911                994.502              -1569.678
 CID1   Fr= 1--      -8.042                  8.536                 -3.942
 Raman2 Fr= 1--     167.020                 49.923                162.153
 ROA2   Fr= 1--    -178.672                223.341               -257.678
 CID2   Fr= 1--      -1.070                  4.474                 -1.589
 Raman3 Fr= 1--     334.040                 99.845                324.306
 ROA3   Fr= 1--   -3142.911                994.502              -1569.678
 CID3   Fr= 1--      -9.409                  9.960                 -4.840
 RC180  Fr= 1--       0.709                  0.714                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118173D+03 -0.297436D-03  0.143992D+01
      2  -0.297436D-03  0.961819D+02  0.126903D-03
      3   0.143992D+01  0.126903D-03  0.910327D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.793715D+01 -0.242151D-03  0.167486D+01
      2  -0.140162D-02 -0.261441D+01  0.350547D-02
      3   0.246311D+02 -0.431790D-03 -0.362443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.164731D-01 -0.250948D+02 -0.337014D-02
      2   0.483511D-02 -0.761388D+01 -0.104877D-01
      3   0.116380D-01  0.327087D+02  0.138578D-01
      4  -0.265680D+02 -0.111672D-02 -0.992398D+00
      5  -0.271423D-02  0.213495D+01  0.124423D-01
      6  -0.191308D+01 -0.124139D-01  0.163074D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.347000D+01  0.329504D+01 -0.534840D+01 -0.986652D+00 -0.317942D+01
      2   0.329504D+01 -0.420408D+01  0.909761D+00 -0.317942D+01 -0.214982D+01
      3  -0.534840D+01  0.909761D+00  0.277597D+01  0.184371D+01 -0.140627D+01
                 6             7             8             9            10 
      1   0.184371D+01 -0.200150D+01 -0.118607D+01  0.197771D+01 -0.353715D+00
      2  -0.140627D+01 -0.118607D+01 -0.260642D+01  0.238309D+01  0.731267D+00
      3   0.313930D+01  0.197771D+01  0.238309D+01  0.218585D+01 -0.126404D+01
                11            12            13            14            15 
      1   0.731267D+00 -0.126404D+01  0.235634D+01 -0.100298D+01 -0.294199D+01
      2  -0.211431D-01  0.873603D+00 -0.100298D+01  0.107162D+01  0.114629D+01
      3   0.873603D+00 -0.463801D+00 -0.294199D+01  0.114629D+01 -0.128709D+01
                16            17            18            19            20 
      1  -0.517158D+01 -0.108826D+01  0.116498D+01 -0.118879D-02 -0.717402D+00
      2  -0.108826D+01  0.308383D+01 -0.101757D+01 -0.717402D+00  0.125476D-03
      3   0.116498D+01 -0.101757D+01  0.197024D+00  0.406209D-04 -0.307894D+00
                21            22            23            24            25 
      1   0.406209D-04  0.190861D+01 -0.190706D-02  0.347154D+01  0.459604D-03
      2  -0.307894D+00 -0.190706D-02  0.546992D+00  0.179937D-03  0.512779D+01
      3  -0.704088D-04  0.347154D+01  0.179937D-03 -0.254276D+01  0.214314D-02
                26            27            28            29            30 
      1   0.512779D+01  0.214314D-02  0.881613D+00 -0.328107D+01  0.311066D+01
      2   0.264888D-03 -0.104613D+01 -0.328107D+01 -0.331687D+00 -0.409677D+00
      3  -0.104613D+01 -0.150862D-02  0.311066D+01 -0.409677D+00  0.212343D+01
                31            32            33            34            35 
      1  -0.605499D+01  0.258302D+01 -0.338996D+00  0.412668D+01  0.143509D+01
      2   0.258302D+01  0.223552D+01  0.326350D+01  0.143509D+01  0.181900D+01
      3  -0.338996D+00  0.326350D+01  0.241135D+01  0.839375D+00  0.158575D+01
                36            37            38            39            40 
      1   0.839375D+00  0.156441D+01 -0.315464D+01  0.562326D+00 -0.193143D+01
      2   0.158575D+01 -0.315464D+01  0.305589D+01 -0.332323D+01  0.251738D+01
      3  -0.297468D+01  0.562326D+00 -0.332323D+01 -0.337371D+01 -0.931908D+00
                41            42            43            44            45 
      1   0.251738D+01 -0.931908D+00  0.241897D+01 -0.423964D+01 -0.262245D+01
      2  -0.201767D+01 -0.223058D+01 -0.423964D+01 -0.215840D+01 -0.190662D+00
      3  -0.223058D+01 -0.408350D+00 -0.262245D+01 -0.190662D+00  0.452408D+00
                46            47            48            49            50 
      1  -0.346905D+01  0.329244D+01  0.534796D+01 -0.987251D+00  0.318017D+01
      2   0.329244D+01  0.420368D+01  0.911123D+00  0.318017D+01 -0.215124D+01
      3   0.534796D+01  0.911123D+00 -0.277761D+01  0.184564D+01  0.140356D+01
                51            52            53            54            55 
      1   0.184564D+01  0.200025D+01 -0.118545D+01 -0.198024D+01  0.359241D+00
      2   0.140356D+01 -0.118545D+01  0.260385D+01  0.238407D+01  0.731514D+00
      3   0.313897D+01 -0.198024D+01  0.238407D+01 -0.218204D+01  0.126444D+01
                56            57            58            59            60 
      1   0.731514D+00  0.126444D+01  0.235444D+01  0.100430D+01 -0.294133D+01
      2   0.201655D-01  0.873186D+00  0.100430D+01  0.107420D+01 -0.114479D+01
      3   0.873186D+00  0.464164D+00 -0.294133D+01 -0.114479D+01 -0.128684D+01
                61            62            63            64            65 
      1   0.517189D+01 -0.108829D+01 -0.116703D+01 -0.156597D+01 -0.315827D+01
      2  -0.108829D+01 -0.308281D+01 -0.101922D+01 -0.315827D+01 -0.305198D+01
      3  -0.116703D+01 -0.101922D+01 -0.198377D+00 -0.561597D+00 -0.332490D+01
                66            67            68            69            70 
      1  -0.561597D+00 -0.193285D+01 -0.251432D+01 -0.933353D+00 -0.241774D+01
      2  -0.332490D+01 -0.251432D+01 -0.201984D+01  0.223138D+01 -0.424018D+01
      3   0.337095D+01 -0.933353D+00  0.223138D+01 -0.405700D+00  0.262051D+01
                71            72            73            74            75 
      1  -0.424018D+01  0.262051D+01 -0.888060D+00 -0.328006D+01 -0.311293D+01
      2   0.216019D+01 -0.186289D+00 -0.328006D+01  0.332496D+00 -0.407426D+00
      3  -0.186289D+00 -0.456185D+00 -0.311293D+01 -0.407426D+00 -0.212050D+01
                76            77            78            79            80 
      1  -0.605356D+01 -0.258364D+01 -0.337386D+00 -0.412909D+01  0.143663D+01
      2  -0.258364D+01  0.223855D+01 -0.326354D+01  0.143663D+01 -0.181952D+01
      3  -0.337386D+00 -0.326354D+01  0.240803D+01 -0.835122D+00  0.158298D+01
                81            82            83            84            85 
      1  -0.835122D+00  0.159184D+01  0.147007D+01 -0.134886D+00  0.287253D+01
      2   0.158298D+01  0.147007D+01  0.319915D+01 -0.800886D+00  0.290151D+01
      3   0.297902D+01 -0.134886D+00 -0.800886D+00  0.403222D+00 -0.932857D+00
                86            87            88            89            90 
      1   0.290151D+01 -0.932857D+00  0.968226D+00 -0.140542D-01  0.206402D+00
      2   0.927974D+01 -0.202038D+01 -0.140542D-01  0.473245D+00  0.107714D+01
      3  -0.202038D+01  0.177917D+01  0.206402D+00  0.107714D+01 -0.109640D+01
                91            92            93            94            95 
      1  -0.938133D+00 -0.959086D-01 -0.343695D+00 -0.937540D+00  0.526571D+00
      2  -0.959086D-01  0.155956D+00  0.309766D-01  0.526571D+00  0.409566D+00
      3  -0.343695D+00  0.309766D-01 -0.166320D+01 -0.255752D+00 -0.107480D+01
                96            97            98            99           100 
      1  -0.255752D+00 -0.168905D+01  0.584843D-01 -0.224905D+00  0.756877D+00
      2  -0.107480D+01  0.584843D-01 -0.157145D+01  0.103604D+01  0.601665D+00
      3  -0.170229D+01 -0.224905D+00  0.103604D+01 -0.981506D+01  0.757268D+00
               101           102           103           104           105 
      1   0.601665D+00  0.757268D+00  0.600156D+00  0.280084D+00  0.147181D+00
      2  -0.252259D+00  0.247233D+00  0.280084D+00 -0.584235D+00  0.576794D+00
      3   0.247233D+00 -0.452870D+00  0.147181D+00  0.576794D+00 -0.970546D+00
               106           107           108           109           110 
      1   0.253334D+01 -0.305613D+00  0.259642D+01  0.102261D+02  0.273708D+01
      2  -0.305613D+00  0.118154D+01 -0.676625D+00  0.273708D+01  0.180980D+01
      3   0.259642D+01 -0.676625D+00  0.903307D+01  0.484846D+00  0.173785D+00
               111           112           113           114           115 
      1   0.484846D+00  0.498809D+01  0.181469D+01  0.304446D+00 -0.193101D+01
      2   0.173785D+00  0.181469D+01  0.137660D+01 -0.194163D+00 -0.337566D+00
      3   0.115879D+01  0.304446D+00 -0.194163D+00  0.605266D+00  0.134806D+01
               116           117           118           119           120 
      1  -0.337566D+00  0.134806D+01 -0.123333D+01 -0.506161D+00  0.824591D-01
      2  -0.876907D+00  0.239487D+00 -0.506161D+00 -0.283653D+01  0.905672D+00
      3   0.239487D+00  0.444104D+00  0.824591D-01  0.905672D+00 -0.323959D+00
               121           122           123           124           125 
      1  -0.127570D+01 -0.389452D+00  0.387459D+00  0.774455D+00  0.724926D+00
      2  -0.389452D+00 -0.746553D+01  0.994284D+00  0.724926D+00  0.228061D+01
      3   0.387459D+00  0.994284D+00 -0.125078D+01  0.302212D+00 -0.143454D+01
               126           127           128           129           130 
      1   0.302212D+00  0.327425D+01 -0.143749D+01 -0.211218D+01 -0.584208D+00
      2  -0.143454D+01 -0.143749D+01  0.130467D+01  0.154660D+01  0.111310D+01
      3   0.887995D+00 -0.211218D+01  0.154660D+01  0.269855D+01  0.982362D+00
               131           132           133           134           135 
      1   0.111310D+01  0.982362D+00 -0.391908D+01  0.238860D+01  0.325389D+01
      2  -0.242878D+01 -0.136126D+01  0.238860D+01 -0.265012D+01 -0.247873D+01
      3  -0.136126D+01 -0.104462D+01  0.325389D+01 -0.247873D+01 -0.506725D+01
               136           137           138           139           140 
      1   0.939295D+00 -0.958691D-01  0.343853D+00 -0.937942D+00 -0.526317D+00
      2  -0.958691D-01 -0.155498D+00  0.308918D-01 -0.526317D+00  0.408879D+00
      3   0.343853D+00  0.308918D-01  0.166505D+01 -0.256190D+00  0.107511D+01
               141           142           143           144           145 
      1  -0.256190D+00  0.168891D+01  0.585567D-01  0.226875D+00 -0.159240D+01
      2   0.107511D+01  0.585567D-01  0.157103D+01  0.103441D+01  0.147006D+01
      3  -0.170316D+01  0.226875D+00  0.103441D+01  0.981358D+01  0.135439D+00
               146           147           148           149           150 
      1   0.147006D+01  0.135439D+00  0.287277D+01 -0.290113D+01 -0.933467D+00
      2  -0.319909D+01 -0.801605D+00 -0.290113D+01  0.927762D+01  0.202182D+01
      3  -0.801605D+00 -0.403614D+00 -0.933467D+00  0.202182D+01  0.177982D+01
               151           152           153           154           155 
      1  -0.967182D+00 -0.145716D-01 -0.206362D+00  0.123178D+01 -0.505265D+00
      2  -0.145716D-01 -0.471121D+00  0.107719D+01 -0.505265D+00  0.283352D+01
      3  -0.206362D+00  0.107719D+01  0.109722D+01 -0.829669D-01  0.906463D+00
               156           157           158           159           160 
      1  -0.829669D-01 -0.127515D+01  0.387589D+00  0.387531D+00 -0.775689D+00
      2   0.906463D+00  0.387589D+00 -0.746483D+01 -0.997294D+00  0.724548D+00
      3   0.324278D+00  0.387531D+00 -0.997294D+00 -0.125167D+01 -0.302040D+00
               161           162           163           164           165 
      1   0.724548D+00 -0.302040D+00 -0.327093D+01 -0.143659D+01  0.211056D+01
      2  -0.228473D+01 -0.143647D+01 -0.143659D+01 -0.130485D+01  0.154671D+01
      3  -0.143647D+01 -0.890121D+00  0.211056D+01  0.154671D+01 -0.269679D+01
               166           167           168           169           170 
      1  -0.584633D+00 -0.111380D+01  0.982834D+00  0.391798D+01  0.238897D+01
      2  -0.111380D+01 -0.243052D+01  0.136171D+01  0.238897D+01  0.265134D+01
      3   0.982834D+00  0.136171D+01 -0.104571D+01 -0.325258D+01 -0.248007D+01
               171           172           173           174           175 
      1  -0.325258D+01 -0.758255D+00  0.601984D+00 -0.757567D+00  0.601045D+00
      2  -0.248007D+01  0.601984D+00  0.251572D+00  0.246831D+00 -0.280406D+00
      3   0.506784D+01 -0.757567D+00  0.246831D+00  0.450292D+00  0.147388D+00
               176           177           178           179           180 
      1  -0.280406D+00  0.147388D+00 -0.253468D+01 -0.305211D+00 -0.259929D+01
      2  -0.583456D+00 -0.576458D+00 -0.305211D+00 -0.118139D+01 -0.674072D+00
      3  -0.576458D+00 -0.967979D+00 -0.259929D+01 -0.674072D+00 -0.903383D+01
               181           182           183           184           185 
      1  -0.102244D+02  0.273762D+01 -0.481586D+00  0.498794D+01 -0.181505D+01
      2   0.273762D+01 -0.180990D+01  0.172784D+00 -0.181505D+01  0.137665D+01
      3  -0.481586D+00  0.172784D+00 -0.115855D+01  0.303145D+00  0.194898D+00
               186           187           188           189 
      1   0.303145D+00  0.193545D+01 -0.338701D+00 -0.134856D+01
      2   0.194898D+00 -0.338701D+00  0.877969D+00  0.240199D+00
      3   0.605600D+00 -0.134856D+01  0.240199D+00 -0.442637D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383470D+01  0.457799D+01 -0.590477D+01  0.480712D+01  0.782260D+01
      2  -0.214288D+01  0.223038D+01  0.208593D+01  0.422553D+01 -0.716106D+01
      3   0.122018D+00  0.377112D+01 -0.630616D+01  0.587499D+01 -0.261121D+01
                 6             7             8             9            10 
      1  -0.735394D+01 -0.335755D+01  0.382539D+01 -0.865150D+01 -0.159689D+00
      2   0.523412D+01 -0.496451D+01  0.217451D+01  0.556470D+01 -0.411298D+00
      3   0.326530D+01 -0.568965D+01  0.227155D+01  0.889746D+00  0.453978D+01
                11            12            13            14            15 
      1   0.875644D+00  0.216972D+01 -0.220632D+01  0.801110D+00 -0.390905D+01
      2  -0.179310D+00  0.342499D+01 -0.226942D+01  0.210353D+01 -0.483595D+01
      3  -0.769701D+01 -0.143916D+00  0.127905D+02 -0.370841D+01 -0.148887D+01
                16            17            18            19            20 
      1  -0.714936D+01  0.431524D+01 -0.177401D+00  0.125775D-02 -0.193346D+01
      2  -0.926919D+01  0.233137D+01 -0.129951D+00 -0.414323D+01 -0.825186D-03
      3  -0.532875D+00 -0.597681D+01  0.266268D+01 -0.948509D-03 -0.549581D+01
                21            22            23            24            25 
      1  -0.314699D-04  0.372611D+01 -0.455808D-03 -0.111457D+01 -0.100744D-02
      2   0.669657D+01 -0.348497D-04 -0.483084D+00  0.322502D-03 -0.137600D+02
      3   0.324140D-03  0.143127D+02 -0.266375D-02 -0.765193D+00  0.725132D-04
                26            27            28            29            30 
      1   0.345606D+01  0.199587D-02 -0.339637D+01  0.129948D+01  0.346539D+00
      2  -0.538286D-03  0.151748D+01  0.123907D+02  0.232052D+01  0.855693D+01
      3   0.543630D+01  0.206640D-02  0.874104D+01 -0.265423D+01  0.454152D+00
                31            32            33            34            35 
      1  -0.158784D+01  0.392658D+01  0.267709D+00  0.243200D+01  0.502303D+01
      2   0.385130D+01  0.950397D+01  0.751677D+01 -0.504089D+01  0.386604D+01
      3  -0.292499D+01 -0.825842D+01 -0.927587D+01 -0.306126D+01 -0.824001D+01
                36            37            38            39            40 
      1   0.268597D+01  0.162035D+01 -0.773946D+01 -0.378552D+01 -0.461375D+01
      2  -0.116012D+02 -0.836232D+00 -0.710823D+01 -0.526911D+01 -0.426536D+01
      3  -0.620066D+01  0.801125D+01 -0.857879D+01  0.713313D+01  0.998544D+00
                41            42            43            44            45 
      1  -0.458375D+01 -0.323489D+01 -0.558452D+01  0.583127D+01  0.128959D+01
      2  -0.377709D+01 -0.250038D+01 -0.696491D+01 -0.220019D+01 -0.555699D+00
      3   0.356167D+00  0.938542D+01  0.882175D+01  0.123896D+02  0.666603D+01
                46            47            48            49            50 
      1  -0.383608D+01  0.457707D+01  0.590920D+01  0.480624D+01 -0.782075D+01
      2  -0.214297D+01 -0.222949D+01  0.208731D+01 -0.422515D+01 -0.715898D+01
      3  -0.122553D+00  0.376702D+01  0.630615D+01  0.587110D+01  0.260945D+01
                51            52            53            54            55 
      1  -0.735645D+01  0.336454D+01  0.382056D+01  0.864609D+01  0.159682D+00
      2  -0.523588D+01 -0.496186D+01 -0.217745D+01  0.556323D+01 -0.411765D+00
      3   0.326466D+01  0.568871D+01  0.227048D+01 -0.891963D+00 -0.453816D+01
                56            57            58            59            60 
      1   0.875054D+00 -0.216978D+01 -0.220782D+01 -0.801397D+00 -0.390853D+01
      2   0.179846D+00  0.342506D+01  0.226887D+01  0.210123D+01  0.483524D+01
      3  -0.769782D+01  0.143750D+00  0.127919D+02  0.371264D+01 -0.148532D+01
                61            62            63            64            65 
      1   0.714905D+01  0.431408D+01  0.178267D+00 -0.161751D+01 -0.773828D+01
      2  -0.926758D+01 -0.232833D+01 -0.128099D+00 -0.836638D+00  0.711359D+01
      3   0.533903D+00 -0.597526D+01 -0.266601D+01 -0.801914D+01 -0.856294D+01
                66            67            68            69            70 
      1   0.378251D+01 -0.461290D+01  0.458526D+01 -0.322897D+01  0.558301D+01
      2  -0.526355D+01  0.426832D+01 -0.378196D+01  0.249388D+01 -0.696067D+01
      3  -0.714046D+01  0.101252D+01 -0.367995D+00  0.939161D+01 -0.882554D+01
                71            72            73            74            75 
      1   0.583974D+01 -0.129304D+01  0.339483D+01  0.129893D+01 -0.347287D+00
      2   0.218827D+01 -0.544311D+00  0.123930D+02 -0.232654D+01  0.854540D+01
      3   0.123974D+02 -0.665185D+01 -0.873902D+01 -0.265543D+01 -0.447636D+00
                76            77            78            79            80 
      1  -0.158703D+01 -0.392688D+01  0.265764D+00 -0.243435D+01  0.502019D+01
      2  -0.385471D+01  0.950444D+01 -0.750569D+01 -0.505617D+01 -0.385449D+01
      3  -0.292858D+01  0.827022D+01 -0.927783D+01  0.306420D+01 -0.824159D+01
                81            82            83            84            85 
      1  -0.268305D+01 -0.244966D+01 -0.344325D+01 -0.359821D+00 -0.240588D+01
      2  -0.116118D+02  0.189373D+01  0.953475D+00  0.108787D+01  0.257647D+01
      3   0.619077D+01  0.126927D+01 -0.286740D+01  0.872017D+00  0.419901D+01
                86            87            88            89            90 
      1  -0.104305D+02 -0.230131D+01 -0.301870D+00 -0.130177D+01  0.198133D+00
      2   0.163323D+01  0.149296D+01 -0.714813D-01  0.118083D+01 -0.817081D+00
      3  -0.460548D+01  0.505739D+00  0.131518D+01 -0.212087D+00 -0.678713D+00
                91            92            93            94            95 
      1   0.157199D+01  0.537158D-01  0.283500D+01 -0.348349D+00  0.137641D+01
      2  -0.277273D+01 -0.363313D+00 -0.118661D+01 -0.187057D+01 -0.651648D+00
      3  -0.822149D+00 -0.524390D+00 -0.461586D+00 -0.425428D+00  0.121937D+00
                96            97            98            99           100 
      1   0.306730D+01  0.395599D+00  0.355529D+01  0.130044D+02  0.992158D+00
      2  -0.248984D+01 -0.579045D+01  0.102488D+01 -0.104751D+02  0.254155D+01
      3   0.473490D+00 -0.229648D+01  0.112562D+01 -0.137594D+01 -0.138800D+01
               101           102           103           104           105 
      1  -0.107903D+00  0.256721D+00  0.240608D+00 -0.758517D+00 -0.546231D+00
      2   0.198748D+00 -0.149762D+01 -0.402427D+00  0.167517D+01 -0.309558D+01
      3  -0.108370D+00 -0.100730D+01 -0.226430D+00  0.150758D+01 -0.145296D+01
               106           107           108           109           110 
      1   0.941513D-01  0.392066D+01  0.139117D+01  0.319752D+01  0.169695D+01
      2   0.228663D+01 -0.169594D+01  0.253887D+02 -0.635278D+01 -0.140388D+01
      3   0.628007D+00 -0.371307D+01  0.176199D+01 -0.797255D+01 -0.826366D+01
               111           112           113           114           115 
      1  -0.593593D+00  0.207047D+01  0.125160D+01 -0.103675D+01 -0.404453D+00
      2   0.562551D+01 -0.248566D+01 -0.206771D+01  0.248318D+01  0.440960D+01
      3  -0.674507D+00 -0.344881D+01 -0.451788D+01  0.586305D+00  0.786046D+00
               116           117           118           119           120 
      1   0.316467D+00  0.682768D+00  0.948263D+00  0.248089D+01 -0.168850D+01
      2   0.116429D+01  0.303291D+00  0.611891D+00  0.133220D+01 -0.922026D-01
      3   0.265352D+01 -0.731423D+00  0.554444D+01  0.772654D+01 -0.287593D+01
               121           122           123           124           125 
      1   0.601519D+00  0.411789D+01 -0.480786D+01  0.335073D+00 -0.236125D+01
      2   0.608581D+00  0.169702D+01 -0.198795D+01 -0.299253D+00 -0.275736D+01
      3   0.587296D+01  0.196664D+02 -0.322251D+01 -0.377245D+01 -0.710097D+01
               126           127           128           129           130 
      1   0.250815D+01 -0.323283D+01  0.127253D+01  0.426898D+01  0.121929D+01
      2   0.141931D+01 -0.248897D+01  0.311034D+01  0.667788D+01  0.162022D+01
      3   0.350102D+01 -0.157757D+01 -0.210394D+01 -0.919393D+00 -0.318062D+00
               131           132           133           134           135 
      1  -0.776380D+00 -0.234948D+01  0.405062D+01 -0.803108D+00 -0.767938D+01
      2  -0.271329D+01 -0.246505D+01  0.303546D+01 -0.428114D+01 -0.102155D+02
      3   0.494589D+01  0.196521D+01  0.183733D+00  0.408402D+01  0.144429D+01
               136           137           138           139           140 
      1  -0.157281D+01  0.554843D-01 -0.283742D+01 -0.347416D+00 -0.137764D+01
      2  -0.277583D+01  0.363419D+00 -0.118869D+01  0.187241D+01 -0.652191D+00
      3   0.823106D+00 -0.523916D+00  0.461792D+00 -0.425188D+00 -0.122256D+00
               141           142           143           144           145 
      1   0.306853D+01 -0.398426D+00  0.355780D+01 -0.130000D+02  0.244963D+01
      2   0.249116D+01 -0.579327D+01 -0.102297D+01 -0.104742D+02  0.189445D+01
      3   0.472934D+00  0.229510D+01  0.112417D+01  0.137612D+01 -0.126974D+01
               146           147           148           149           150 
      1  -0.344375D+01  0.359082D+00 -0.240534D+01  0.104291D+02 -0.229873D+01
      2  -0.953229D+00  0.108766D+01 -0.257738D+01  0.163312D+01 -0.149237D+01
      3  -0.286710D+01 -0.872291D+00  0.419875D+01  0.460279D+01  0.505785D+00
               151           152           153           154           155 
      1   0.300707D+00 -0.129846D+01 -0.199071D+00 -0.948372D+00  0.247924D+01
      2  -0.726208D-01 -0.118011D+01 -0.817902D+00  0.614663D+00 -0.133481D+01
      3  -0.131396D+01 -0.210781D+00  0.678803D+00 -0.553697D+01  0.771764D+01
               156           157           158           159           160 
      1   0.168802D+01  0.600835D+00 -0.411789D+01 -0.480975D+01 -0.335228D+00
      2  -0.935471D-01 -0.610735D+00  0.170473D+01  0.199087D+01 -0.300599D+00
      3   0.287895D+01  0.586698D+01 -0.196618D+02 -0.323051D+01  0.377460D+01
               161           162           163           164           165 
      1  -0.236444D+01 -0.251302D+01  0.323128D+01  0.127392D+01 -0.426726D+01
      2   0.276227D+01  0.142355D+01 -0.248840D+01 -0.311160D+01  0.667478D+01
      3  -0.711119D+01 -0.350666D+01  0.157573D+01 -0.210489D+01  0.921974D+00
               166           167           168           169           170 
      1   0.122021D+01  0.777235D+00 -0.235207D+01 -0.405018D+01 -0.805990D+00
      2  -0.162060D+01 -0.271408D+01  0.246747D+01  0.303412D+01  0.428447D+01
      3  -0.318656D+00 -0.494901D+01  0.196535D+01 -0.182326D+00  0.408536D+01
               171           172           173           174           175 
      1   0.768200D+01 -0.991918D+00 -0.106322D+00 -0.257177D+00  0.240768D+00
      2  -0.102181D+02  0.254019D+01 -0.197466D+00 -0.148928D+01  0.402937D+00
      3  -0.144855D+01  0.138953D+01 -0.110578D+00  0.100590D+01 -0.227403D+00
               176           177           178           179           180 
      1   0.757319D+00 -0.545607D+00 -0.942182D-01  0.392085D+01 -0.138878D+01
      2   0.167384D+01  0.308824D+01  0.229575D+01  0.168899D+01  0.253914D+02
      3  -0.150560D+01 -0.145199D+01 -0.628529D+00 -0.371378D+01 -0.175498D+01
               181           182           183           184           185 
      1  -0.319643D+01  0.169552D+01  0.595373D+00  0.207001D+01 -0.125098D+01
      2  -0.635700D+01  0.140624D+01  0.562738D+01  0.248741D+01 -0.206920D+01
      3   0.797076D+01 -0.826348D+01  0.670974D+00 -0.344833D+01  0.451752D+01
               186           187           188           189 
      1  -0.103777D+01  0.406260D+00  0.315833D+00 -0.683180D+00
      2  -0.248553D+01  0.441384D+01 -0.116723D+01  0.298191D+00
      3   0.588418D+00 -0.788232D+00  0.265749D+01  0.733230D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.890073D+01  0.153232D+02 -0.465102D+01  0.707289D+01 -0.348071D+01
      2  -0.103503D+01 -0.177671D+02  0.119129D+02 -0.105317D+02 -0.136868D+02
      3   0.993576D+01  0.244390D+01 -0.726187D+01  0.345881D+01  0.171675D+02
      4   0.773075D+01 -0.472273D+01 -0.378268D+01 -0.760660D+01 -0.155304D+02
      5  -0.138845D+02 -0.216393D+01  0.125256D+02  0.697825D+00  0.261857D+01
      6  -0.156543D+02  0.774567D+01  0.220265D+01  0.928314D+01 -0.500886D+00
                 6             7             8             9            10 
      1   0.956058D+01  0.105846D+01  0.664876D+01  0.864522D+01 -0.918083D+00
      2   0.891700D+00  0.422623D+01 -0.374236D+01  0.123022D+02 -0.798501D+00
      3  -0.104523D+02 -0.528469D+01 -0.290640D+01 -0.209474D+02  0.171658D+01
      4   0.637995D+00 -0.712397D+01 -0.387566D+01  0.778300D+01  0.353519D+01
      5   0.313209D+01  0.103505D+02  0.525958D+01 -0.378935D+01 -0.104005D+02
      6   0.769328D+01  0.493216D+01  0.860198D+01 -0.511976D+01  0.184334D+01
                11            12            13            14            15 
      1   0.124394D+01 -0.466994D+01 -0.137818D+01 -0.115264D+01 -0.601395D+01
      2   0.162945D+01  0.170020D+01  0.441843D+01 -0.332392D+00  0.253334D+01
      3  -0.287339D+01  0.296974D+01 -0.304026D+01  0.148504D+01  0.348061D+01
      4  -0.114648D+01  0.460836D+01 -0.654319D+01  0.801103D+01  0.218468D+01
      5   0.604710D+01 -0.191319D+01 -0.305204D+01  0.862720D+00 -0.277761D+01
      6  -0.176036D+01  0.637003D+00 -0.408439D+01  0.172264D+01 -0.692738D+00
                16            17            18            19            20 
      1  -0.101441D+02 -0.403049D+01 -0.504122D+00 -0.939236D+00 -0.177617D-02
      2   0.532236D+01  0.218237D+01 -0.245894D+01  0.436734D+01  0.151112D-03
      3   0.482172D+01  0.184811D+01  0.296306D+01 -0.342811D+01  0.162506D-02
      4   0.687719D+00  0.626649D+01 -0.224819D+01 -0.361063D-02  0.540930D+00
      5  -0.172333D+01 -0.130947D+01  0.280258D+00  0.113140D+02  0.657143D-03
      6   0.492229D+01 -0.168074D+01  0.189574D+01  0.262668D-02  0.127205D+01
                21            22            23            24            25 
      1   0.163026D+01 -0.574828D-03 -0.109392D+01  0.144017D-02 -0.648607D+01
      2  -0.358151D+01 -0.205720D-02  0.341503D+01 -0.475358D-03  0.124695D+01
      3   0.195125D+01  0.263203D-02 -0.232110D+01 -0.964817D-03  0.523912D+01
      4   0.158658D-02 -0.427697D+01  0.156055D-02  0.547964D+00  0.381426D-02
      5  -0.661680D+01  0.490820D-02  0.221623D+00  0.430123D-04 -0.144530D+02
      6  -0.462692D-03  0.704834D+01  0.905006D-03 -0.326145D+01  0.154460D-02
                26            27            28            29            30 
      1  -0.478473D-03 -0.268232D+01 -0.763764D+01 -0.185464D+02  0.151962D+02
      2   0.105956D-02  0.954640D+00 -0.900854D+00  0.896985D+01 -0.931714D+01
      3  -0.581090D-03  0.172768D+01  0.853850D+01  0.957658D+01 -0.587905D+01
      4   0.529292D+00 -0.156305D-03 -0.232030D+02 -0.177604D+01 -0.348775D+01
      5  -0.573085D-03  0.502221D+01  0.215238D+02 -0.437803D+01  0.138431D+02
      6  -0.214258D+01 -0.215312D-02 -0.516687D+01  0.121203D+01 -0.271719D+01
                31            32            33            34            35 
      1  -0.306035D+02  0.718204D+01 -0.615058D+00  0.260167D+02  0.357068D+01
      2   0.140723D+02 -0.710455D+01 -0.330658D+01 -0.119036D+02 -0.505838D+01
      3   0.165312D+02 -0.774891D-01  0.392164D+01 -0.141131D+02  0.148771D+01
      4   0.875600D+01  0.117618D+02  0.153825D+02  0.391990D+01  0.103001D+02
      5  -0.562899D+01  0.174993D+02  0.980112D+01  0.925730D+01  0.708088D+01
      6  -0.284921D+00  0.179684D+01  0.188712D+01 -0.195622D+01  0.183494D+01
                36            37            38            39            40 
      1   0.170649D+02  0.940144D+00 -0.593849D+01 -0.673366D+01 -0.282887D+01
      2   0.177252D+01  0.715636D+01 -0.791927D+01  0.517262D+01 -0.766655D+01
      3  -0.188374D+02 -0.809651D+01  0.138578D+02  0.156104D+01  0.104954D+02
      4   0.603772D+01 -0.120833D+02  0.132559D+02 -0.127618D+02  0.151419D+02
      5  -0.123500D+02  0.497916D+01 -0.146286D+02 -0.159650D+02 -0.548876D+01
      6   0.360645D+01  0.121035D+00  0.794755D+01  0.828231D+01  0.488759D+01
                41            42            43            44            45 
      1   0.102120D+02 -0.988177D+01  0.800461D+00 -0.203456D+02 -0.121639D+02
      2  -0.347813D+01  0.114008D+02  0.192887D+01  0.169200D+02  0.878892D+01
      3  -0.673386D+01 -0.151898D+01 -0.272933D+01  0.342564D+01  0.337495D+01
      4  -0.189343D+02 -0.357820D+01 -0.181616D+02 -0.103644D+01  0.453380D+01
      5  -0.727863D+01  0.330112D+00 -0.140995D+02  0.171641D+01  0.667599D+01
      6   0.638202D+01 -0.865995D+00  0.108391D+02 -0.358926D+01 -0.322224D+01
                46            47            48            49            50 
      1  -0.890130D+01 -0.153190D+02 -0.464649D+01 -0.707503D+01 -0.347508D+01
      2  -0.104216D+01  0.177608D+02  0.119199D+02  0.105267D+02 -0.136857D+02
      3   0.994345D+01 -0.244179D+01 -0.727340D+01 -0.345165D+01  0.171608D+02
      4  -0.771829D+01 -0.472542D+01  0.377702D+01 -0.760936D+01  0.155302D+02
      5  -0.138817D+02  0.215798D+01  0.125261D+02 -0.706537D+00  0.262664D+01
      6   0.156469D+02  0.774941D+01 -0.219968D+01  0.928936D+01  0.486758D+00
                51            52            53            54            55 
      1  -0.955983D+01  0.106665D+01 -0.664818D+01  0.864145D+01 -0.933184D+00
      2  -0.899488D+00  0.423296D+01  0.373057D+01  0.122942D+02 -0.791160D+00
      3   0.104593D+02 -0.529961D+01  0.291760D+01 -0.209357D+02  0.172434D+01
      4   0.646983D+00  0.711902D+01 -0.386720D+01 -0.778432D+01 -0.353895D+01
      5  -0.312629D+01  0.103539D+02 -0.525844D+01 -0.380307D+01 -0.104030D+02
      6   0.768573D+01 -0.493287D+01  0.859782D+01  0.513281D+01 -0.184267D+01
                56            57            58            59            60 
      1  -0.124606D+01 -0.466997D+01  0.138181D+01 -0.115765D+01  0.601251D+01
      2  -0.162752D+01  0.170113D+01 -0.441864D+01 -0.329832D+00 -0.253230D+01
      3   0.287359D+01  0.296884D+01  0.303683D+01  0.148749D+01 -0.348020D+01
      4  -0.114333D+01 -0.460765D+01 -0.654640D+01 -0.801654D+01  0.218041D+01
      5  -0.604491D+01 -0.191498D+01  0.305448D+01  0.860152D+00  0.277683D+01
      6  -0.176075D+01 -0.637048D+00 -0.408268D+01 -0.171931D+01 -0.691081D+00
                61            62            63            64            65 
      1  -0.101470D+02  0.403195D+01 -0.497380D+00  0.944463D+00  0.596262D+01
      2   0.532397D+01 -0.218311D+01 -0.246139D+01  0.715929D+01  0.789459D+01
      3   0.482304D+01 -0.184884D+01  0.295877D+01 -0.810375D+01 -0.138572D+02
      4  -0.687186D+00  0.626337D+01  0.225380D+01  0.120979D+02  0.132504D+02
      5  -0.171565D+01  0.131503D+01  0.285572D+00  0.497049D+01  0.146345D+02
      6  -0.492130D+01 -0.167860D+01 -0.189772D+01 -0.122991D+00  0.795534D+01
                66            67            68            69            70 
      1  -0.674057D+01  0.284211D+01  0.102002D+02  0.989043D+01  0.791791D+00
      2   0.518455D+01  0.765078D+01 -0.346524D+01 -0.114097D+02  0.193968D+01
      3   0.155603D+01 -0.104929D+02 -0.673496D+01  0.151928D+01 -0.273148D+01
      4   0.127671D+02  0.151352D+02  0.189317D+02 -0.357633D+01  0.181617D+02
      5  -0.159516D+02  0.549412D+01 -0.727783D+01 -0.339721D+00 -0.140887D+02
      6  -0.827709D+01  0.489443D+01 -0.638771D+01 -0.878429D+00 -0.108351D+02
                71            72            73            74            75 
      1   0.203526D+02 -0.121411D+02 -0.760282D+01  0.185455D+02  0.152195D+02
      2  -0.169302D+02  0.877053D+01 -0.919805D+00 -0.896815D+01 -0.932324D+01
      3  -0.342240D+01  0.337058D+01  0.852263D+01 -0.957739D+01 -0.589625D+01
      4  -0.103896D+01 -0.454672D+01  0.231986D+02 -0.178084D+01  0.347417D+01
      5  -0.173197D+01  0.668861D+01  0.215489D+02  0.436339D+01  0.138302D+02
      6  -0.360503D+01  0.323017D+01  0.515976D+01  0.121081D+01  0.271188D+01
                76            77            78            79            80 
      1   0.305989D+02  0.718448D+01  0.600358D+00  0.260419D+02 -0.358564D+01
      2  -0.140672D+02 -0.710517D+01  0.330835D+01 -0.119086D+02  0.505910D+01
      3  -0.165317D+02 -0.793157D-01 -0.390871D+01 -0.141332D+02 -0.147346D+01
      4   0.875507D+01 -0.117782D+02  0.153830D+02 -0.393193D+01  0.103019D+02
      5   0.561136D+01  0.174997D+02 -0.978956D+01  0.923186D+01 -0.707007D+01
      6  -0.285212D+00 -0.180111D+01  0.188957D+01  0.195259D+01  0.183648D+01
                81            82            83            84            85 
      1   0.170415D+02  0.324657D+01 -0.367348D+01  0.181889D+01 -0.222323D+01
      2   0.179109D+01  0.443860D+01  0.106912D+02 -0.266846D+01  0.100357D+02
      3  -0.188326D+02 -0.768517D+01 -0.701771D+01  0.849564D+00 -0.781251D+01
      4  -0.602673D+01  0.981507D+01  0.168338D+02 -0.312636D+01  0.158244D+02
      5  -0.123819D+02 -0.236335D+01 -0.460133D+01  0.337172D+01 -0.533638D+01
      6  -0.359905D+01 -0.227037D+01 -0.705830D+01  0.350656D+01 -0.765822D+01
                86            87            88            89            90 
      1  -0.224734D+02  0.654538D+01  0.240883D+01  0.622920D+00 -0.527275D+01
      2   0.434437D+02 -0.638222D+01 -0.684221D+00  0.375114D+01  0.195458D+01
      3  -0.209703D+02 -0.163162D+00 -0.172461D+01 -0.437406D+01  0.331817D+01
      4   0.300000D+02 -0.710177D+01  0.174758D+01  0.117113D+01  0.329311D+01
      5  -0.807703D+01  0.506843D+01  0.131073D+01  0.292623D+01 -0.190881D+01
      6  -0.204676D+02  0.112210D+02  0.162115D+01  0.623606D+01 -0.341348D+01
                91            92            93            94            95 
      1  -0.512850D+00 -0.226081D+00 -0.508234D+01 -0.261103D+01 -0.374489D+01
      2  -0.254218D+01  0.101016D+01 -0.324486D+01  0.206119D+01  0.148004D+01
      3   0.305503D+01 -0.784083D+00  0.832720D+01  0.549842D+00  0.226485D+01
      4  -0.109939D+01  0.188500D+01 -0.135741D+01  0.228142D+01  0.179336D+01
      5   0.192829D+01 -0.282788D+00  0.460407D+01  0.171448D+01 -0.178229D+01
      6   0.437165D+00  0.336812D+00 -0.309324D+01 -0.133259D+01 -0.778796D+00
                96            97            98            99           100 
      1  -0.384298D+01 -0.260442D+01  0.542216D+01 -0.307941D+02  0.556259D+01
      2  -0.620702D+01 -0.634593D-02 -0.232350D+01 -0.207846D+02 -0.522857D+01
      3   0.100500D+02  0.261077D+01 -0.309866D+01  0.515787D+02 -0.334014D+00
      4  -0.183466D+01 -0.162908D+01 -0.292560D+01  0.778240D+00  0.282097D+01
      5  -0.201143D+01  0.560084D+01  0.133732D+01 -0.101443D+02  0.393754D+01
      6   0.483645D+01 -0.374106D+00  0.857596D+01 -0.158002D+02 -0.226952D+00
               101           102           103           104           105 
      1   0.217728D+01  0.655036D+01  0.406965D+01 -0.261662D+01  0.256597D+01
      2  -0.111677D+01 -0.206453D+01 -0.200230D+01  0.322428D+00  0.608644D+00
      3  -0.106052D+01 -0.448583D+01 -0.206736D+01  0.229420D+01 -0.317462D+01
      4   0.396105D+00  0.384299D+00  0.303855D+01 -0.276726D+01  0.284852D+01
      5   0.110142D+01  0.322446D+01  0.503784D+00  0.266013D+01 -0.432746D+01
      6  -0.842103D+00  0.419678D+00  0.152261D+01 -0.194293D+01  0.643059D+01
               106           107           108           109           110 
      1   0.706737D+01  0.136913D+01 -0.116059D+02  0.752450D+02  0.188174D+02
      2  -0.107542D+02  0.481860D+00 -0.214414D+02 -0.368363D+02 -0.872265D+01
      3   0.368682D+01 -0.185098D+01  0.330474D+02 -0.384087D+02 -0.100947D+02
      4  -0.131184D+01  0.608563D+01 -0.261711D+01  0.224175D+02  0.149337D+02
      5   0.187660D+02 -0.318374D+01  0.453294D+02  0.643026D+01  0.226253D+01
      6  -0.181084D+01  0.573829D+01 -0.670251D+01  0.253384D+01  0.142526D+01
               111           112           113           114           115 
      1   0.193327D+01  0.309746D+02  0.114299D+02  0.134792D+01 -0.137694D+02
      2  -0.233134D+01 -0.138146D+02 -0.256273D+01 -0.150765D+01  0.540874D+01
      3   0.398068D+00 -0.171600D+02 -0.886712D+01  0.159730D+00  0.836066D+01
      4   0.141315D+01  0.169869D+02  0.114580D+02 -0.795478D+00 -0.298286D+01
      5   0.996940D+01  0.420267D+01 -0.857128D+00  0.442619D+01  0.107577D+02
      6   0.729566D+00  0.174949D+01  0.115312D+01  0.160921D+01  0.431515D+00
               116           117           118           119           120 
      1  -0.242935D+01  0.618742D+01 -0.396956D+01 -0.972941D+01  0.231858D+01
      2   0.102106D+01 -0.531415D+01  0.420917D+01  0.140200D+02 -0.261380D+01
      3   0.140829D+01 -0.873273D+00 -0.239613D+00 -0.429059D+01  0.295216D+00
      4  -0.500510D+01  0.230224D+01  0.282326D+01 -0.282762D+01  0.176972D+01
      5   0.230107D+01  0.162280D+01 -0.186874D+00  0.298065D+01  0.341517D+00
      6   0.158141D+01 -0.799525D+00 -0.153541D+01 -0.283735D+01  0.192300D+01
               121           122           123           124           125 
      1  -0.594027D+01 -0.246981D+02  0.468763D+01  0.357553D+01  0.102912D+02
      2   0.492133D+01  0.388117D+02 -0.621609D+01 -0.272946D+01 -0.123641D+02
      3   0.101895D+01 -0.141136D+02  0.152846D+01 -0.846063D+00  0.207283D+01
      4   0.437748D+01 -0.193341D+02  0.150348D+01  0.847256D+00  0.476312D+01
      5   0.178040D+01  0.274740D+01 -0.496195D+01  0.353542D+01 -0.472580D+01
      6  -0.143270D+01 -0.604348D+01  0.704891D+01 -0.612851D+00  0.884029D+01
               126           127           128           129           130 
      1  -0.395883D+01  0.161927D+02 -0.437777D+01 -0.653742D+01 -0.194380D+00
      2   0.416428D+01 -0.100336D+02  0.158315D+01  0.476444D+01 -0.141452D+01
      3  -0.205450D+00 -0.615912D+01  0.279462D+01  0.177298D+01  0.160890D+01
      4  -0.376604D+01 -0.136109D+02  0.109902D+02  0.113710D+02  0.896962D+01
      5   0.208790D+01 -0.169035D+02  0.102571D+02  0.188243D+02  0.603021D+01
      6  -0.450888D+01  0.803960D+01 -0.680594D+01 -0.854274D+01 -0.545709D+01
               131           132           133           134           135 
      1  -0.217364D+01  0.655397D+00 -0.116476D+02  0.251097D+01  0.339641D+01
      2   0.552500D+01  0.132473D+01  0.808701D+01  0.201466D-01 -0.980209D+01
      3  -0.335136D+01 -0.198012D+01  0.356058D+01 -0.253111D+01  0.640567D+01
      4  -0.126573D+02 -0.880269D+01  0.172607D+02 -0.160089D+02 -0.159612D+02
      5  -0.850526D+01 -0.644343D+01  0.225544D+02 -0.147830D+02 -0.295955D+02
      6   0.679040D+01  0.798073D+01 -0.120575D+02  0.130253D+02  0.177109D+02
               136           137           138           139           140 
      1  -0.513976D+00  0.225496D+00 -0.508672D+01  0.261211D+01 -0.374526D+01
      2  -0.254210D+01 -0.100861D+01 -0.324967D+01 -0.205951D+01  0.147851D+01
      3   0.305608D+01  0.783113D+00  0.833639D+01 -0.552601D+00  0.226675D+01
      4   0.109949D+01  0.188371D+01  0.135663D+01  0.228145D+01 -0.179183D+01
      5   0.193181D+01  0.282191D+00  0.460335D+01 -0.171447D+01 -0.178172D+01
      6  -0.437593D+00  0.337919D+00  0.309403D+01 -0.133231D+01  0.776290D+00
               141           142           143           144           145 
      1   0.384718D+01 -0.260830D+01 -0.541630D+01 -0.307925D+02  0.324693D+01
      2   0.620779D+01 -0.107844D-01  0.232480D+01 -0.207840D+02  0.443731D+01
      3  -0.100550D+02  0.261908D+01  0.309150D+01  0.515765D+02 -0.768424D+01
      4  -0.183459D+01  0.162760D+01 -0.292378D+01 -0.774931D+00 -0.981593D+01
      5   0.201059D+01  0.559834D+01 -0.133495D+01 -0.101323D+02 -0.236674D+01
      6   0.483734D+01  0.376908D+00  0.857202D+01  0.157841D+02  0.227396D+01
               146           147           148           149           150 
      1   0.367433D+01  0.181938D+01  0.222289D+01 -0.224699D+02 -0.654958D+01
      2  -0.106886D+02 -0.266950D+01 -0.100311D+02  0.434271D+02  0.638655D+01
      3   0.701426D+01  0.850118D+00  0.780821D+01 -0.209572D+02  0.163025D+00
      4   0.168322D+02  0.313018D+01  0.158213D+02 -0.299908D+02 -0.710616D+01
      5   0.460495D+01  0.337375D+01  0.533937D+01 -0.808157D+01 -0.507115D+01
      6  -0.706208D+01 -0.350917D+01 -0.766206D+01  0.204769D+02  0.112260D+02
               151           152           153           154           155 
      1   0.240798D+01 -0.627806D+00 -0.527438D+01 -0.396510D+01  0.971820D+01
      2  -0.685957D+00 -0.374220D+01  0.195388D+01  0.420371D+01 -0.140040D+02
      3  -0.172202D+01  0.437001D+01  0.332050D+01 -0.238617D+00  0.428576D+01
      4  -0.174395D+01  0.116413D+01 -0.329352D+01 -0.282177D+01 -0.282307D+01
      5   0.131110D+01 -0.292711D+01 -0.191070D+01 -0.186423D+00 -0.298127D+01
      6  -0.162212D+01  0.623824D+01  0.341726D+01  0.153824D+01 -0.284323D+01
               156           157           158           159           160 
      1   0.232373D+01  0.593392D+01 -0.246899D+02 -0.469780D+01  0.358016D+01
      2  -0.261792D+01 -0.491214D+01  0.388007D+02  0.622858D+01 -0.273143D+01
      3   0.294188D+00 -0.102178D+01 -0.141107D+02 -0.153078D+01 -0.848728D+00
      4  -0.176983D+01  0.438158D+01  0.193416D+02  0.151214D+01 -0.843171D+00
      5   0.340870D+00 -0.177899D+01  0.275594D+01  0.496523D+01  0.353485D+01
      6  -0.192353D+01 -0.143328D+01  0.606304D+01  0.705467D+01  0.612593D+00
               161           162           163           164           165 
      1  -0.103033D+02 -0.396670D+01  0.161754D+02  0.437277D+01 -0.652992D+01
      2   0.123793D+02  0.417049D+01 -0.100216D+02 -0.157823D+01  0.475531D+01
      3  -0.207604D+01 -0.203788D+00 -0.615376D+01 -0.279454D+01  0.177461D+01
      4   0.477671D+01  0.377213D+01  0.136028D+02  0.109900D+02 -0.113696D+02
      5   0.473244D+01  0.209532D+01 -0.168891D+02 -0.102563D+02  0.188125D+02
      6   0.885021D+01  0.451997D+01 -0.803634D+01 -0.680571D+01  0.853932D+01
               166           167           168           169           170 
      1   0.194334D+00 -0.217667D+01 -0.654793D+00 -0.116410D+02 -0.250727D+01
      2   0.141639D+01  0.553066D+01 -0.132546D+01  0.807772D+01 -0.243228D-01
      3  -0.161073D+01 -0.335399D+01  0.198026D+01  0.356324D+01  0.253159D+01
      4   0.897290D+01  0.126666D+02 -0.880516D+01 -0.172608D+02 -0.160143D+02
      5  -0.603250D+01 -0.850743D+01  0.644862D+01  0.225442D+02  0.147883D+02
      6  -0.545884D+01 -0.679505D+01  0.798571D+01  0.120567D+02  0.130324D+02
               171           172           173           174           175 
      1   0.338542D+01  0.556952D+01 -0.218138D+01  0.654683D+01 -0.407300D+01
      2  -0.979090D+01 -0.523389D+01  0.111863D+01 -0.206995D+01  0.200461D+01
      3   0.640548D+01 -0.335628D+00  0.106275D+01 -0.447688D+01  0.206840D+01
      4   0.159652D+02 -0.282262D+01  0.399403D+00 -0.384166D+00  0.304057D+01
      5  -0.295931D+02  0.394328D+01 -0.110081D+01  0.323698D+01 -0.505695D+00
      6  -0.177174D+02  0.225823D+00 -0.840046D+00 -0.416723D+00  0.152369D+01
               176           177           178           179           180 
      1  -0.261282D+01 -0.255951D+01  0.707024D+01 -0.136307D+01 -0.115880D+02
      2   0.320277D+00 -0.607222D+00 -0.107637D+02 -0.479264D+00 -0.214527D+02
      3   0.229254D+01  0.316673D+01  0.369348D+01  0.184234D+01  0.330407D+02
      4   0.276412D+01  0.284883D+01  0.130849D+01  0.608678D+01  0.260589D+01
      5   0.266071D+01  0.431613D+01  0.187849D+02  0.317238D+01  0.453488D+02
      6   0.193764D+01  0.642719D+01  0.180805D+01  0.573545D+01  0.668566D+01
               181           182           183           184           185 
      1   0.752350D+02 -0.188213D+02  0.191094D+01 -0.309750D+02  0.114315D+02
      2  -0.368280D+02  0.872309D+01 -0.231905D+01  0.138125D+02 -0.256210D+01
      3  -0.384071D+02  0.100982D+02  0.408114D+00  0.171625D+02 -0.886936D+01
      4  -0.224241D+02  0.149361D+02 -0.140576D+01  0.169912D+02 -0.114596D+02
      5   0.639808D+01 -0.225428D+01  0.996632D+01 -0.418925D+01 -0.863984D+00
      6  -0.252882D+01  0.142302D+01 -0.729128D+00  0.174557D+01 -0.114962D+01
               186           187           188           189 
      1  -0.133962D+01 -0.137981D+02  0.243701D+01  0.619120D+01
      2   0.150394D+01  0.542389D+01 -0.102409D+01 -0.531567D+01
      3  -0.164326D+00  0.837423D+01 -0.141293D+01 -0.875529D+00
      4  -0.801573D+00  0.299262D+01 -0.501274D+01 -0.230618D+01
      5  -0.442675D+01  0.107611D+02 -0.230481D+01  0.161215D+01
      6   0.160898D+01 -0.431973D+00  0.158118D+01  0.800007D+00
 Leave Link  716 at Fri Jul 23 17:51:38 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118173D+03 -0.297436D-03  0.143992D+01
      2  -0.297436D-03  0.961819D+02  0.126903D-03
      3   0.143992D+01  0.126903D-03  0.910327D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.793715D+01 -0.242151D-03  0.167486D+01
      2  -0.140162D-02 -0.261441D+01  0.350547D-02
      3   0.246311D+02 -0.431790D-03 -0.362443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.164731D-01 -0.250948D+02 -0.337014D-02
      2   0.483511D-02 -0.761388D+01 -0.104877D-01
      3   0.116380D-01  0.327087D+02  0.138578D-01
      4  -0.265680D+02 -0.111672D-02 -0.992398D+00
      5  -0.271423D-02  0.213495D+01  0.124423D-01
      6  -0.191308D+01 -0.124139D-01  0.163074D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.347000D+01  0.329504D+01 -0.534840D+01 -0.986652D+00 -0.317942D+01
      2   0.329504D+01 -0.420408D+01  0.909761D+00 -0.317942D+01 -0.214982D+01
      3  -0.534840D+01  0.909761D+00  0.277597D+01  0.184371D+01 -0.140627D+01
                 6             7             8             9            10 
      1   0.184371D+01 -0.200150D+01 -0.118607D+01  0.197771D+01 -0.353715D+00
      2  -0.140627D+01 -0.118607D+01 -0.260642D+01  0.238309D+01  0.731267D+00
      3   0.313930D+01  0.197771D+01  0.238309D+01  0.218585D+01 -0.126404D+01
                11            12            13            14            15 
      1   0.731267D+00 -0.126404D+01  0.235634D+01 -0.100298D+01 -0.294199D+01
      2  -0.211431D-01  0.873603D+00 -0.100298D+01  0.107162D+01  0.114629D+01
      3   0.873603D+00 -0.463801D+00 -0.294199D+01  0.114629D+01 -0.128709D+01
                16            17            18            19            20 
      1  -0.517158D+01 -0.108826D+01  0.116498D+01 -0.118879D-02 -0.717402D+00
      2  -0.108826D+01  0.308383D+01 -0.101757D+01 -0.717402D+00  0.125476D-03
      3   0.116498D+01 -0.101757D+01  0.197024D+00  0.406209D-04 -0.307894D+00
                21            22            23            24            25 
      1   0.406209D-04  0.190861D+01 -0.190706D-02  0.347154D+01  0.459604D-03
      2  -0.307894D+00 -0.190706D-02  0.546992D+00  0.179937D-03  0.512779D+01
      3  -0.704088D-04  0.347154D+01  0.179937D-03 -0.254276D+01  0.214314D-02
                26            27            28            29            30 
      1   0.512779D+01  0.214314D-02  0.881613D+00 -0.328107D+01  0.311066D+01
      2   0.264888D-03 -0.104613D+01 -0.328107D+01 -0.331687D+00 -0.409677D+00
      3  -0.104613D+01 -0.150862D-02  0.311066D+01 -0.409677D+00  0.212343D+01
                31            32            33            34            35 
      1  -0.605499D+01  0.258302D+01 -0.338996D+00  0.412668D+01  0.143509D+01
      2   0.258302D+01  0.223552D+01  0.326350D+01  0.143509D+01  0.181900D+01
      3  -0.338996D+00  0.326350D+01  0.241135D+01  0.839375D+00  0.158575D+01
                36            37            38            39            40 
      1   0.839375D+00  0.156441D+01 -0.315464D+01  0.562326D+00 -0.193143D+01
      2   0.158575D+01 -0.315464D+01  0.305589D+01 -0.332323D+01  0.251738D+01
      3  -0.297468D+01  0.562326D+00 -0.332323D+01 -0.337371D+01 -0.931908D+00
                41            42            43            44            45 
      1   0.251738D+01 -0.931908D+00  0.241897D+01 -0.423964D+01 -0.262245D+01
      2  -0.201767D+01 -0.223058D+01 -0.423964D+01 -0.215840D+01 -0.190662D+00
      3  -0.223058D+01 -0.408350D+00 -0.262245D+01 -0.190662D+00  0.452408D+00
                46            47            48            49            50 
      1  -0.346905D+01  0.329244D+01  0.534796D+01 -0.987251D+00  0.318017D+01
      2   0.329244D+01  0.420368D+01  0.911123D+00  0.318017D+01 -0.215124D+01
      3   0.534796D+01  0.911123D+00 -0.277761D+01  0.184564D+01  0.140356D+01
                51            52            53            54            55 
      1   0.184564D+01  0.200025D+01 -0.118545D+01 -0.198024D+01  0.359241D+00
      2   0.140356D+01 -0.118545D+01  0.260385D+01  0.238407D+01  0.731514D+00
      3   0.313897D+01 -0.198024D+01  0.238407D+01 -0.218204D+01  0.126444D+01
                56            57            58            59            60 
      1   0.731514D+00  0.126444D+01  0.235444D+01  0.100430D+01 -0.294133D+01
      2   0.201655D-01  0.873186D+00  0.100430D+01  0.107420D+01 -0.114479D+01
      3   0.873186D+00  0.464164D+00 -0.294133D+01 -0.114479D+01 -0.128684D+01
                61            62            63            64            65 
      1   0.517189D+01 -0.108829D+01 -0.116703D+01 -0.156597D+01 -0.315827D+01
      2  -0.108829D+01 -0.308281D+01 -0.101922D+01 -0.315827D+01 -0.305198D+01
      3  -0.116703D+01 -0.101922D+01 -0.198377D+00 -0.561597D+00 -0.332490D+01
                66            67            68            69            70 
      1  -0.561597D+00 -0.193285D+01 -0.251432D+01 -0.933353D+00 -0.241774D+01
      2  -0.332490D+01 -0.251432D+01 -0.201984D+01  0.223138D+01 -0.424018D+01
      3   0.337095D+01 -0.933353D+00  0.223138D+01 -0.405700D+00  0.262051D+01
                71            72            73            74            75 
      1  -0.424018D+01  0.262051D+01 -0.888060D+00 -0.328006D+01 -0.311293D+01
      2   0.216019D+01 -0.186289D+00 -0.328006D+01  0.332496D+00 -0.407426D+00
      3  -0.186289D+00 -0.456185D+00 -0.311293D+01 -0.407426D+00 -0.212050D+01
                76            77            78            79            80 
      1  -0.605356D+01 -0.258364D+01 -0.337386D+00 -0.412909D+01  0.143663D+01
      2  -0.258364D+01  0.223855D+01 -0.326354D+01  0.143663D+01 -0.181952D+01
      3  -0.337386D+00 -0.326354D+01  0.240803D+01 -0.835122D+00  0.158298D+01
                81            82            83            84            85 
      1  -0.835122D+00  0.159184D+01  0.147007D+01 -0.134886D+00  0.287253D+01
      2   0.158298D+01  0.147007D+01  0.319915D+01 -0.800886D+00  0.290151D+01
      3   0.297902D+01 -0.134886D+00 -0.800886D+00  0.403222D+00 -0.932857D+00
                86            87            88            89            90 
      1   0.290151D+01 -0.932857D+00  0.968226D+00 -0.140542D-01  0.206402D+00
      2   0.927974D+01 -0.202038D+01 -0.140542D-01  0.473245D+00  0.107714D+01
      3  -0.202038D+01  0.177917D+01  0.206402D+00  0.107714D+01 -0.109640D+01
                91            92            93            94            95 
      1  -0.938133D+00 -0.959086D-01 -0.343695D+00 -0.937540D+00  0.526571D+00
      2  -0.959086D-01  0.155956D+00  0.309766D-01  0.526571D+00  0.409566D+00
      3  -0.343695D+00  0.309766D-01 -0.166320D+01 -0.255752D+00 -0.107480D+01
                96            97            98            99           100 
      1  -0.255752D+00 -0.168905D+01  0.584843D-01 -0.224905D+00  0.756877D+00
      2  -0.107480D+01  0.584843D-01 -0.157145D+01  0.103604D+01  0.601665D+00
      3  -0.170229D+01 -0.224905D+00  0.103604D+01 -0.981506D+01  0.757268D+00
               101           102           103           104           105 
      1   0.601665D+00  0.757268D+00  0.600156D+00  0.280084D+00  0.147181D+00
      2  -0.252259D+00  0.247233D+00  0.280084D+00 -0.584235D+00  0.576794D+00
      3   0.247233D+00 -0.452870D+00  0.147181D+00  0.576794D+00 -0.970546D+00
               106           107           108           109           110 
      1   0.253334D+01 -0.305613D+00  0.259642D+01  0.102261D+02  0.273708D+01
      2  -0.305613D+00  0.118154D+01 -0.676625D+00  0.273708D+01  0.180980D+01
      3   0.259642D+01 -0.676625D+00  0.903307D+01  0.484846D+00  0.173785D+00
               111           112           113           114           115 
      1   0.484846D+00  0.498809D+01  0.181469D+01  0.304446D+00 -0.193101D+01
      2   0.173785D+00  0.181469D+01  0.137660D+01 -0.194163D+00 -0.337566D+00
      3   0.115879D+01  0.304446D+00 -0.194163D+00  0.605266D+00  0.134806D+01
               116           117           118           119           120 
      1  -0.337566D+00  0.134806D+01 -0.123333D+01 -0.506161D+00  0.824591D-01
      2  -0.876907D+00  0.239487D+00 -0.506161D+00 -0.283653D+01  0.905672D+00
      3   0.239487D+00  0.444104D+00  0.824591D-01  0.905672D+00 -0.323959D+00
               121           122           123           124           125 
      1  -0.127570D+01 -0.389452D+00  0.387459D+00  0.774455D+00  0.724926D+00
      2  -0.389452D+00 -0.746553D+01  0.994284D+00  0.724926D+00  0.228061D+01
      3   0.387459D+00  0.994284D+00 -0.125078D+01  0.302212D+00 -0.143454D+01
               126           127           128           129           130 
      1   0.302212D+00  0.327425D+01 -0.143749D+01 -0.211218D+01 -0.584208D+00
      2  -0.143454D+01 -0.143749D+01  0.130467D+01  0.154660D+01  0.111310D+01
      3   0.887995D+00 -0.211218D+01  0.154660D+01  0.269855D+01  0.982362D+00
               131           132           133           134           135 
      1   0.111310D+01  0.982362D+00 -0.391908D+01  0.238860D+01  0.325389D+01
      2  -0.242878D+01 -0.136126D+01  0.238860D+01 -0.265012D+01 -0.247873D+01
      3  -0.136126D+01 -0.104462D+01  0.325389D+01 -0.247873D+01 -0.506725D+01
               136           137           138           139           140 
      1   0.939295D+00 -0.958691D-01  0.343853D+00 -0.937942D+00 -0.526317D+00
      2  -0.958691D-01 -0.155498D+00  0.308918D-01 -0.526317D+00  0.408879D+00
      3   0.343853D+00  0.308918D-01  0.166505D+01 -0.256190D+00  0.107511D+01
               141           142           143           144           145 
      1  -0.256190D+00  0.168891D+01  0.585567D-01  0.226875D+00 -0.159240D+01
      2   0.107511D+01  0.585567D-01  0.157103D+01  0.103441D+01  0.147006D+01
      3  -0.170316D+01  0.226875D+00  0.103441D+01  0.981358D+01  0.135439D+00
               146           147           148           149           150 
      1   0.147006D+01  0.135439D+00  0.287277D+01 -0.290113D+01 -0.933467D+00
      2  -0.319909D+01 -0.801605D+00 -0.290113D+01  0.927762D+01  0.202182D+01
      3  -0.801605D+00 -0.403614D+00 -0.933467D+00  0.202182D+01  0.177982D+01
               151           152           153           154           155 
      1  -0.967182D+00 -0.145716D-01 -0.206362D+00  0.123178D+01 -0.505265D+00
      2  -0.145716D-01 -0.471121D+00  0.107719D+01 -0.505265D+00  0.283352D+01
      3  -0.206362D+00  0.107719D+01  0.109722D+01 -0.829669D-01  0.906463D+00
               156           157           158           159           160 
      1  -0.829669D-01 -0.127515D+01  0.387589D+00  0.387531D+00 -0.775689D+00
      2   0.906463D+00  0.387589D+00 -0.746483D+01 -0.997294D+00  0.724548D+00
      3   0.324278D+00  0.387531D+00 -0.997294D+00 -0.125167D+01 -0.302040D+00
               161           162           163           164           165 
      1   0.724548D+00 -0.302040D+00 -0.327093D+01 -0.143659D+01  0.211056D+01
      2  -0.228473D+01 -0.143647D+01 -0.143659D+01 -0.130485D+01  0.154671D+01
      3  -0.143647D+01 -0.890121D+00  0.211056D+01  0.154671D+01 -0.269679D+01
               166           167           168           169           170 
      1  -0.584633D+00 -0.111380D+01  0.982834D+00  0.391798D+01  0.238897D+01
      2  -0.111380D+01 -0.243052D+01  0.136171D+01  0.238897D+01  0.265134D+01
      3   0.982834D+00  0.136171D+01 -0.104571D+01 -0.325258D+01 -0.248007D+01
               171           172           173           174           175 
      1  -0.325258D+01 -0.758255D+00  0.601984D+00 -0.757567D+00  0.601045D+00
      2  -0.248007D+01  0.601984D+00  0.251572D+00  0.246831D+00 -0.280406D+00
      3   0.506784D+01 -0.757567D+00  0.246831D+00  0.450292D+00  0.147388D+00
               176           177           178           179           180 
      1  -0.280406D+00  0.147388D+00 -0.253468D+01 -0.305211D+00 -0.259929D+01
      2  -0.583456D+00 -0.576458D+00 -0.305211D+00 -0.118139D+01 -0.674072D+00
      3  -0.576458D+00 -0.967979D+00 -0.259929D+01 -0.674072D+00 -0.903383D+01
               181           182           183           184           185 
      1  -0.102244D+02  0.273762D+01 -0.481586D+00  0.498794D+01 -0.181505D+01
      2   0.273762D+01 -0.180990D+01  0.172784D+00 -0.181505D+01  0.137665D+01
      3  -0.481586D+00  0.172784D+00 -0.115855D+01  0.303145D+00  0.194898D+00
               186           187           188           189 
      1   0.303145D+00  0.193545D+01 -0.338701D+00 -0.134856D+01
      2   0.194898D+00 -0.338701D+00  0.877969D+00  0.240199D+00
      3   0.605600D+00 -0.134856D+01  0.240199D+00 -0.442637D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.383470D+01  0.457799D+01 -0.590477D+01  0.480712D+01  0.782260D+01
      2  -0.214288D+01  0.223038D+01  0.208593D+01  0.422553D+01 -0.716106D+01
      3   0.122018D+00  0.377112D+01 -0.630616D+01  0.587499D+01 -0.261121D+01
                 6             7             8             9            10 
      1  -0.735394D+01 -0.335755D+01  0.382539D+01 -0.865150D+01 -0.159689D+00
      2   0.523412D+01 -0.496451D+01  0.217451D+01  0.556470D+01 -0.411298D+00
      3   0.326530D+01 -0.568965D+01  0.227155D+01  0.889746D+00  0.453978D+01
                11            12            13            14            15 
      1   0.875644D+00  0.216972D+01 -0.220632D+01  0.801110D+00 -0.390905D+01
      2  -0.179310D+00  0.342499D+01 -0.226942D+01  0.210353D+01 -0.483595D+01
      3  -0.769701D+01 -0.143916D+00  0.127905D+02 -0.370841D+01 -0.148887D+01
                16            17            18            19            20 
      1  -0.714936D+01  0.431524D+01 -0.177401D+00  0.125775D-02 -0.193346D+01
      2  -0.926919D+01  0.233137D+01 -0.129951D+00 -0.414323D+01 -0.825186D-03
      3  -0.532875D+00 -0.597681D+01  0.266268D+01 -0.948509D-03 -0.549581D+01
                21            22            23            24            25 
      1  -0.314699D-04  0.372611D+01 -0.455808D-03 -0.111457D+01 -0.100744D-02
      2   0.669657D+01 -0.348497D-04 -0.483084D+00  0.322502D-03 -0.137600D+02
      3   0.324140D-03  0.143127D+02 -0.266375D-02 -0.765193D+00  0.725132D-04
                26            27            28            29            30 
      1   0.345606D+01  0.199587D-02 -0.339637D+01  0.129948D+01  0.346539D+00
      2  -0.538286D-03  0.151748D+01  0.123907D+02  0.232052D+01  0.855693D+01
      3   0.543630D+01  0.206640D-02  0.874104D+01 -0.265423D+01  0.454152D+00
                31            32            33            34            35 
      1  -0.158784D+01  0.392658D+01  0.267709D+00  0.243200D+01  0.502303D+01
      2   0.385130D+01  0.950397D+01  0.751677D+01 -0.504089D+01  0.386604D+01
      3  -0.292499D+01 -0.825842D+01 -0.927587D+01 -0.306126D+01 -0.824001D+01
                36            37            38            39            40 
      1   0.268597D+01  0.162035D+01 -0.773946D+01 -0.378552D+01 -0.461375D+01
      2  -0.116012D+02 -0.836232D+00 -0.710823D+01 -0.526911D+01 -0.426536D+01
      3  -0.620066D+01  0.801125D+01 -0.857879D+01  0.713313D+01  0.998544D+00
                41            42            43            44            45 
      1  -0.458375D+01 -0.323489D+01 -0.558452D+01  0.583127D+01  0.128959D+01
      2  -0.377709D+01 -0.250038D+01 -0.696491D+01 -0.220019D+01 -0.555699D+00
      3   0.356167D+00  0.938542D+01  0.882175D+01  0.123896D+02  0.666603D+01
                46            47            48            49            50 
      1  -0.383608D+01  0.457707D+01  0.590920D+01  0.480624D+01 -0.782075D+01
      2  -0.214297D+01 -0.222949D+01  0.208731D+01 -0.422515D+01 -0.715898D+01
      3  -0.122553D+00  0.376702D+01  0.630615D+01  0.587110D+01  0.260945D+01
                51            52            53            54            55 
      1  -0.735645D+01  0.336454D+01  0.382056D+01  0.864609D+01  0.159682D+00
      2  -0.523588D+01 -0.496186D+01 -0.217745D+01  0.556323D+01 -0.411765D+00
      3   0.326466D+01  0.568871D+01  0.227048D+01 -0.891963D+00 -0.453816D+01
                56            57            58            59            60 
      1   0.875054D+00 -0.216978D+01 -0.220782D+01 -0.801397D+00 -0.390853D+01
      2   0.179846D+00  0.342506D+01  0.226887D+01  0.210123D+01  0.483524D+01
      3  -0.769782D+01  0.143750D+00  0.127919D+02  0.371264D+01 -0.148532D+01
                61            62            63            64            65 
      1   0.714905D+01  0.431408D+01  0.178267D+00 -0.161751D+01 -0.773828D+01
      2  -0.926758D+01 -0.232833D+01 -0.128099D+00 -0.836638D+00  0.711359D+01
      3   0.533903D+00 -0.597526D+01 -0.266601D+01 -0.801914D+01 -0.856294D+01
                66            67            68            69            70 
      1   0.378251D+01 -0.461290D+01  0.458526D+01 -0.322897D+01  0.558301D+01
      2  -0.526355D+01  0.426832D+01 -0.378196D+01  0.249388D+01 -0.696067D+01
      3  -0.714046D+01  0.101252D+01 -0.367995D+00  0.939161D+01 -0.882554D+01
                71            72            73            74            75 
      1   0.583974D+01 -0.129304D+01  0.339483D+01  0.129893D+01 -0.347287D+00
      2   0.218827D+01 -0.544311D+00  0.123930D+02 -0.232654D+01  0.854540D+01
      3   0.123974D+02 -0.665185D+01 -0.873902D+01 -0.265543D+01 -0.447636D+00
                76            77            78            79            80 
      1  -0.158703D+01 -0.392688D+01  0.265764D+00 -0.243435D+01  0.502019D+01
      2  -0.385471D+01  0.950444D+01 -0.750569D+01 -0.505617D+01 -0.385449D+01
      3  -0.292858D+01  0.827022D+01 -0.927783D+01  0.306420D+01 -0.824159D+01
                81            82            83            84            85 
      1  -0.268305D+01 -0.244966D+01 -0.344325D+01 -0.359821D+00 -0.240588D+01
      2  -0.116118D+02  0.189373D+01  0.953475D+00  0.108787D+01  0.257647D+01
      3   0.619077D+01  0.126927D+01 -0.286740D+01  0.872017D+00  0.419901D+01
                86            87            88            89            90 
      1  -0.104305D+02 -0.230131D+01 -0.301870D+00 -0.130177D+01  0.198133D+00
      2   0.163323D+01  0.149296D+01 -0.714813D-01  0.118083D+01 -0.817081D+00
      3  -0.460548D+01  0.505739D+00  0.131518D+01 -0.212087D+00 -0.678713D+00
                91            92            93            94            95 
      1   0.157199D+01  0.537158D-01  0.283500D+01 -0.348349D+00  0.137641D+01
      2  -0.277273D+01 -0.363313D+00 -0.118661D+01 -0.187057D+01 -0.651648D+00
      3  -0.822149D+00 -0.524390D+00 -0.461586D+00 -0.425428D+00  0.121937D+00
                96            97            98            99           100 
      1   0.306730D+01  0.395599D+00  0.355529D+01  0.130044D+02  0.992158D+00
      2  -0.248984D+01 -0.579045D+01  0.102488D+01 -0.104751D+02  0.254155D+01
      3   0.473490D+00 -0.229648D+01  0.112562D+01 -0.137594D+01 -0.138800D+01
               101           102           103           104           105 
      1  -0.107903D+00  0.256721D+00  0.240608D+00 -0.758517D+00 -0.546231D+00
      2   0.198748D+00 -0.149762D+01 -0.402427D+00  0.167517D+01 -0.309558D+01
      3  -0.108370D+00 -0.100730D+01 -0.226430D+00  0.150758D+01 -0.145296D+01
               106           107           108           109           110 
      1   0.941513D-01  0.392066D+01  0.139117D+01  0.319752D+01  0.169695D+01
      2   0.228663D+01 -0.169594D+01  0.253887D+02 -0.635278D+01 -0.140388D+01
      3   0.628007D+00 -0.371307D+01  0.176199D+01 -0.797255D+01 -0.826366D+01
               111           112           113           114           115 
      1  -0.593593D+00  0.207047D+01  0.125160D+01 -0.103675D+01 -0.404453D+00
      2   0.562551D+01 -0.248566D+01 -0.206771D+01  0.248318D+01  0.440960D+01
      3  -0.674507D+00 -0.344881D+01 -0.451788D+01  0.586305D+00  0.786046D+00
               116           117           118           119           120 
      1   0.316467D+00  0.682768D+00  0.948263D+00  0.248089D+01 -0.168850D+01
      2   0.116429D+01  0.303291D+00  0.611891D+00  0.133220D+01 -0.922026D-01
      3   0.265352D+01 -0.731423D+00  0.554444D+01  0.772654D+01 -0.287593D+01
               121           122           123           124           125 
      1   0.601519D+00  0.411789D+01 -0.480786D+01  0.335073D+00 -0.236125D+01
      2   0.608581D+00  0.169702D+01 -0.198795D+01 -0.299253D+00 -0.275736D+01
      3   0.587296D+01  0.196664D+02 -0.322251D+01 -0.377245D+01 -0.710097D+01
               126           127           128           129           130 
      1   0.250815D+01 -0.323283D+01  0.127253D+01  0.426898D+01  0.121929D+01
      2   0.141931D+01 -0.248897D+01  0.311034D+01  0.667788D+01  0.162022D+01
      3   0.350102D+01 -0.157757D+01 -0.210394D+01 -0.919393D+00 -0.318062D+00
               131           132           133           134           135 
      1  -0.776380D+00 -0.234948D+01  0.405062D+01 -0.803108D+00 -0.767938D+01
      2  -0.271329D+01 -0.246505D+01  0.303546D+01 -0.428114D+01 -0.102155D+02
      3   0.494589D+01  0.196521D+01  0.183733D+00  0.408402D+01  0.144429D+01
               136           137           138           139           140 
      1  -0.157281D+01  0.554843D-01 -0.283742D+01 -0.347416D+00 -0.137764D+01
      2  -0.277583D+01  0.363419D+00 -0.118869D+01  0.187241D+01 -0.652191D+00
      3   0.823106D+00 -0.523916D+00  0.461792D+00 -0.425188D+00 -0.122256D+00
               141           142           143           144           145 
      1   0.306853D+01 -0.398426D+00  0.355780D+01 -0.130000D+02  0.244963D+01
      2   0.249116D+01 -0.579327D+01 -0.102297D+01 -0.104742D+02  0.189445D+01
      3   0.472934D+00  0.229510D+01  0.112417D+01  0.137612D+01 -0.126974D+01
               146           147           148           149           150 
      1  -0.344375D+01  0.359082D+00 -0.240534D+01  0.104291D+02 -0.229873D+01
      2  -0.953229D+00  0.108766D+01 -0.257738D+01  0.163312D+01 -0.149237D+01
      3  -0.286710D+01 -0.872291D+00  0.419875D+01  0.460279D+01  0.505785D+00
               151           152           153           154           155 
      1   0.300707D+00 -0.129846D+01 -0.199071D+00 -0.948372D+00  0.247924D+01
      2  -0.726208D-01 -0.118011D+01 -0.817902D+00  0.614663D+00 -0.133481D+01
      3  -0.131396D+01 -0.210781D+00  0.678803D+00 -0.553697D+01  0.771764D+01
               156           157           158           159           160 
      1   0.168802D+01  0.600835D+00 -0.411789D+01 -0.480975D+01 -0.335228D+00
      2  -0.935471D-01 -0.610735D+00  0.170473D+01  0.199087D+01 -0.300599D+00
      3   0.287895D+01  0.586698D+01 -0.196618D+02 -0.323051D+01  0.377460D+01
               161           162           163           164           165 
      1  -0.236444D+01 -0.251302D+01  0.323128D+01  0.127392D+01 -0.426726D+01
      2   0.276227D+01  0.142355D+01 -0.248840D+01 -0.311160D+01  0.667478D+01
      3  -0.711119D+01 -0.350666D+01  0.157573D+01 -0.210489D+01  0.921974D+00
               166           167           168           169           170 
      1   0.122021D+01  0.777235D+00 -0.235207D+01 -0.405018D+01 -0.805990D+00
      2  -0.162060D+01 -0.271408D+01  0.246747D+01  0.303412D+01  0.428447D+01
      3  -0.318656D+00 -0.494901D+01  0.196535D+01 -0.182326D+00  0.408536D+01
               171           172           173           174           175 
      1   0.768200D+01 -0.991918D+00 -0.106322D+00 -0.257177D+00  0.240768D+00
      2  -0.102181D+02  0.254019D+01 -0.197466D+00 -0.148928D+01  0.402937D+00
      3  -0.144855D+01  0.138953D+01 -0.110578D+00  0.100590D+01 -0.227403D+00
               176           177           178           179           180 
      1   0.757319D+00 -0.545607D+00 -0.942182D-01  0.392085D+01 -0.138878D+01
      2   0.167384D+01  0.308824D+01  0.229575D+01  0.168899D+01  0.253914D+02
      3  -0.150560D+01 -0.145199D+01 -0.628529D+00 -0.371378D+01 -0.175498D+01
               181           182           183           184           185 
      1  -0.319643D+01  0.169552D+01  0.595373D+00  0.207001D+01 -0.125098D+01
      2  -0.635700D+01  0.140624D+01  0.562738D+01  0.248741D+01 -0.206920D+01
      3   0.797076D+01 -0.826348D+01  0.670974D+00 -0.344833D+01  0.451752D+01
               186           187           188           189 
      1  -0.103777D+01  0.406260D+00  0.315833D+00 -0.683180D+00
      2  -0.248553D+01  0.441384D+01 -0.116723D+01  0.298191D+00
      3   0.588418D+00 -0.788232D+00  0.265749D+01  0.733230D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.890073D+01  0.153232D+02 -0.465102D+01  0.707289D+01 -0.348071D+01
      2  -0.103503D+01 -0.177671D+02  0.119129D+02 -0.105317D+02 -0.136868D+02
      3   0.993576D+01  0.244390D+01 -0.726187D+01  0.345881D+01  0.171675D+02
      4   0.773075D+01 -0.472273D+01 -0.378268D+01 -0.760660D+01 -0.155304D+02
      5  -0.138845D+02 -0.216393D+01  0.125256D+02  0.697825D+00  0.261857D+01
      6  -0.156543D+02  0.774567D+01  0.220265D+01  0.928314D+01 -0.500886D+00
                 6             7             8             9            10 
      1   0.956058D+01  0.105846D+01  0.664876D+01  0.864522D+01 -0.918083D+00
      2   0.891700D+00  0.422623D+01 -0.374236D+01  0.123022D+02 -0.798501D+00
      3  -0.104523D+02 -0.528469D+01 -0.290640D+01 -0.209474D+02  0.171658D+01
      4   0.637995D+00 -0.712397D+01 -0.387566D+01  0.778300D+01  0.353519D+01
      5   0.313209D+01  0.103505D+02  0.525958D+01 -0.378935D+01 -0.104005D+02
      6   0.769328D+01  0.493216D+01  0.860198D+01 -0.511976D+01  0.184334D+01
                11            12            13            14            15 
      1   0.124394D+01 -0.466994D+01 -0.137818D+01 -0.115264D+01 -0.601395D+01
      2   0.162945D+01  0.170020D+01  0.441843D+01 -0.332392D+00  0.253334D+01
      3  -0.287339D+01  0.296974D+01 -0.304026D+01  0.148504D+01  0.348061D+01
      4  -0.114648D+01  0.460836D+01 -0.654319D+01  0.801103D+01  0.218468D+01
      5   0.604710D+01 -0.191319D+01 -0.305204D+01  0.862720D+00 -0.277761D+01
      6  -0.176036D+01  0.637003D+00 -0.408439D+01  0.172264D+01 -0.692738D+00
                16            17            18            19            20 
      1  -0.101441D+02 -0.403049D+01 -0.504122D+00 -0.939236D+00 -0.177617D-02
      2   0.532236D+01  0.218237D+01 -0.245894D+01  0.436734D+01  0.151112D-03
      3   0.482172D+01  0.184811D+01  0.296306D+01 -0.342811D+01  0.162506D-02
      4   0.687719D+00  0.626649D+01 -0.224819D+01 -0.361063D-02  0.540930D+00
      5  -0.172333D+01 -0.130947D+01  0.280258D+00  0.113140D+02  0.657143D-03
      6   0.492229D+01 -0.168074D+01  0.189574D+01  0.262668D-02  0.127205D+01
                21            22            23            24            25 
      1   0.163026D+01 -0.574828D-03 -0.109392D+01  0.144017D-02 -0.648607D+01
      2  -0.358151D+01 -0.205720D-02  0.341503D+01 -0.475358D-03  0.124695D+01
      3   0.195125D+01  0.263203D-02 -0.232110D+01 -0.964817D-03  0.523912D+01
      4   0.158658D-02 -0.427697D+01  0.156055D-02  0.547964D+00  0.381426D-02
      5  -0.661680D+01  0.490820D-02  0.221623D+00  0.430123D-04 -0.144530D+02
      6  -0.462692D-03  0.704834D+01  0.905006D-03 -0.326145D+01  0.154460D-02
                26            27            28            29            30 
      1  -0.478473D-03 -0.268232D+01 -0.763764D+01 -0.185464D+02  0.151962D+02
      2   0.105956D-02  0.954640D+00 -0.900854D+00  0.896985D+01 -0.931714D+01
      3  -0.581090D-03  0.172768D+01  0.853850D+01  0.957658D+01 -0.587905D+01
      4   0.529292D+00 -0.156305D-03 -0.232030D+02 -0.177604D+01 -0.348775D+01
      5  -0.573085D-03  0.502221D+01  0.215238D+02 -0.437803D+01  0.138431D+02
      6  -0.214258D+01 -0.215312D-02 -0.516687D+01  0.121203D+01 -0.271719D+01
                31            32            33            34            35 
      1  -0.306035D+02  0.718204D+01 -0.615058D+00  0.260167D+02  0.357068D+01
      2   0.140723D+02 -0.710455D+01 -0.330658D+01 -0.119036D+02 -0.505838D+01
      3   0.165312D+02 -0.774891D-01  0.392164D+01 -0.141131D+02  0.148771D+01
      4   0.875600D+01  0.117618D+02  0.153825D+02  0.391990D+01  0.103001D+02
      5  -0.562899D+01  0.174993D+02  0.980112D+01  0.925730D+01  0.708088D+01
      6  -0.284921D+00  0.179684D+01  0.188712D+01 -0.195622D+01  0.183494D+01
                36            37            38            39            40 
      1   0.170649D+02  0.940144D+00 -0.593849D+01 -0.673366D+01 -0.282887D+01
      2   0.177252D+01  0.715636D+01 -0.791927D+01  0.517262D+01 -0.766655D+01
      3  -0.188374D+02 -0.809651D+01  0.138578D+02  0.156104D+01  0.104954D+02
      4   0.603772D+01 -0.120833D+02  0.132559D+02 -0.127618D+02  0.151419D+02
      5  -0.123500D+02  0.497916D+01 -0.146286D+02 -0.159650D+02 -0.548876D+01
      6   0.360645D+01  0.121035D+00  0.794755D+01  0.828231D+01  0.488759D+01
                41            42            43            44            45 
      1   0.102120D+02 -0.988177D+01  0.800461D+00 -0.203456D+02 -0.121639D+02
      2  -0.347813D+01  0.114008D+02  0.192887D+01  0.169200D+02  0.878892D+01
      3  -0.673386D+01 -0.151898D+01 -0.272933D+01  0.342564D+01  0.337495D+01
      4  -0.189343D+02 -0.357820D+01 -0.181616D+02 -0.103644D+01  0.453380D+01
      5  -0.727863D+01  0.330112D+00 -0.140995D+02  0.171641D+01  0.667599D+01
      6   0.638202D+01 -0.865995D+00  0.108391D+02 -0.358926D+01 -0.322224D+01
                46            47            48            49            50 
      1  -0.890130D+01 -0.153190D+02 -0.464649D+01 -0.707503D+01 -0.347508D+01
      2  -0.104216D+01  0.177608D+02  0.119199D+02  0.105267D+02 -0.136857D+02
      3   0.994345D+01 -0.244179D+01 -0.727340D+01 -0.345165D+01  0.171608D+02
      4  -0.771829D+01 -0.472542D+01  0.377702D+01 -0.760936D+01  0.155302D+02
      5  -0.138817D+02  0.215798D+01  0.125261D+02 -0.706537D+00  0.262664D+01
      6   0.156469D+02  0.774941D+01 -0.219968D+01  0.928936D+01  0.486758D+00
                51            52            53            54            55 
      1  -0.955983D+01  0.106665D+01 -0.664818D+01  0.864145D+01 -0.933184D+00
      2  -0.899488D+00  0.423296D+01  0.373057D+01  0.122942D+02 -0.791160D+00
      3   0.104593D+02 -0.529961D+01  0.291760D+01 -0.209357D+02  0.172434D+01
      4   0.646983D+00  0.711902D+01 -0.386720D+01 -0.778432D+01 -0.353895D+01
      5  -0.312629D+01  0.103539D+02 -0.525844D+01 -0.380307D+01 -0.104030D+02
      6   0.768573D+01 -0.493287D+01  0.859782D+01  0.513281D+01 -0.184267D+01
                56            57            58            59            60 
      1  -0.124606D+01 -0.466997D+01  0.138181D+01 -0.115765D+01  0.601251D+01
      2  -0.162752D+01  0.170113D+01 -0.441864D+01 -0.329832D+00 -0.253230D+01
      3   0.287359D+01  0.296884D+01  0.303683D+01  0.148749D+01 -0.348020D+01
      4  -0.114333D+01 -0.460765D+01 -0.654640D+01 -0.801654D+01  0.218041D+01
      5  -0.604491D+01 -0.191498D+01  0.305448D+01  0.860152D+00  0.277683D+01
      6  -0.176075D+01 -0.637048D+00 -0.408268D+01 -0.171931D+01 -0.691081D+00
                61            62            63            64            65 
      1  -0.101470D+02  0.403195D+01 -0.497380D+00  0.944463D+00  0.596262D+01
      2   0.532397D+01 -0.218311D+01 -0.246139D+01  0.715929D+01  0.789459D+01
      3   0.482304D+01 -0.184884D+01  0.295877D+01 -0.810375D+01 -0.138572D+02
      4  -0.687186D+00  0.626337D+01  0.225380D+01  0.120979D+02  0.132504D+02
      5  -0.171565D+01  0.131503D+01  0.285572D+00  0.497049D+01  0.146345D+02
      6  -0.492130D+01 -0.167860D+01 -0.189772D+01 -0.122991D+00  0.795534D+01
                66            67            68            69            70 
      1  -0.674057D+01  0.284211D+01  0.102002D+02  0.989043D+01  0.791791D+00
      2   0.518455D+01  0.765078D+01 -0.346524D+01 -0.114097D+02  0.193968D+01
      3   0.155603D+01 -0.104929D+02 -0.673496D+01  0.151928D+01 -0.273148D+01
      4   0.127671D+02  0.151352D+02  0.189317D+02 -0.357633D+01  0.181617D+02
      5  -0.159516D+02  0.549412D+01 -0.727783D+01 -0.339721D+00 -0.140887D+02
      6  -0.827709D+01  0.489443D+01 -0.638771D+01 -0.878429D+00 -0.108351D+02
                71            72            73            74            75 
      1   0.203526D+02 -0.121411D+02 -0.760282D+01  0.185455D+02  0.152195D+02
      2  -0.169302D+02  0.877053D+01 -0.919805D+00 -0.896815D+01 -0.932324D+01
      3  -0.342240D+01  0.337058D+01  0.852263D+01 -0.957739D+01 -0.589625D+01
      4  -0.103896D+01 -0.454672D+01  0.231986D+02 -0.178084D+01  0.347417D+01
      5  -0.173197D+01  0.668861D+01  0.215489D+02  0.436339D+01  0.138302D+02
      6  -0.360503D+01  0.323017D+01  0.515976D+01  0.121081D+01  0.271188D+01
                76            77            78            79            80 
      1   0.305989D+02  0.718448D+01  0.600358D+00  0.260419D+02 -0.358564D+01
      2  -0.140672D+02 -0.710517D+01  0.330835D+01 -0.119086D+02  0.505910D+01
      3  -0.165317D+02 -0.793157D-01 -0.390871D+01 -0.141332D+02 -0.147346D+01
      4   0.875507D+01 -0.117782D+02  0.153830D+02 -0.393193D+01  0.103019D+02
      5   0.561136D+01  0.174997D+02 -0.978956D+01  0.923186D+01 -0.707007D+01
      6  -0.285212D+00 -0.180111D+01  0.188957D+01  0.195259D+01  0.183648D+01
                81            82            83            84            85 
      1   0.170415D+02  0.324657D+01 -0.367348D+01  0.181889D+01 -0.222323D+01
      2   0.179109D+01  0.443860D+01  0.106912D+02 -0.266846D+01  0.100357D+02
      3  -0.188326D+02 -0.768517D+01 -0.701771D+01  0.849564D+00 -0.781251D+01
      4  -0.602673D+01  0.981507D+01  0.168338D+02 -0.312636D+01  0.158244D+02
      5  -0.123819D+02 -0.236335D+01 -0.460133D+01  0.337172D+01 -0.533638D+01
      6  -0.359905D+01 -0.227037D+01 -0.705830D+01  0.350656D+01 -0.765822D+01
                86            87            88            89            90 
      1  -0.224734D+02  0.654538D+01  0.240883D+01  0.622920D+00 -0.527275D+01
      2   0.434437D+02 -0.638222D+01 -0.684221D+00  0.375114D+01  0.195458D+01
      3  -0.209703D+02 -0.163162D+00 -0.172461D+01 -0.437406D+01  0.331817D+01
      4   0.300000D+02 -0.710177D+01  0.174758D+01  0.117113D+01  0.329311D+01
      5  -0.807703D+01  0.506843D+01  0.131073D+01  0.292623D+01 -0.190881D+01
      6  -0.204676D+02  0.112210D+02  0.162115D+01  0.623606D+01 -0.341348D+01
                91            92            93            94            95 
      1  -0.512850D+00 -0.226081D+00 -0.508234D+01 -0.261103D+01 -0.374489D+01
      2  -0.254218D+01  0.101016D+01 -0.324486D+01  0.206119D+01  0.148004D+01
      3   0.305503D+01 -0.784083D+00  0.832720D+01  0.549842D+00  0.226485D+01
      4  -0.109939D+01  0.188500D+01 -0.135741D+01  0.228142D+01  0.179336D+01
      5   0.192829D+01 -0.282788D+00  0.460407D+01  0.171448D+01 -0.178229D+01
      6   0.437165D+00  0.336812D+00 -0.309324D+01 -0.133259D+01 -0.778796D+00
                96            97            98            99           100 
      1  -0.384298D+01 -0.260442D+01  0.542216D+01 -0.307941D+02  0.556259D+01
      2  -0.620702D+01 -0.634593D-02 -0.232350D+01 -0.207846D+02 -0.522857D+01
      3   0.100500D+02  0.261077D+01 -0.309866D+01  0.515787D+02 -0.334014D+00
      4  -0.183466D+01 -0.162908D+01 -0.292560D+01  0.778240D+00  0.282097D+01
      5  -0.201143D+01  0.560084D+01  0.133732D+01 -0.101443D+02  0.393754D+01
      6   0.483645D+01 -0.374106D+00  0.857596D+01 -0.158002D+02 -0.226952D+00
               101           102           103           104           105 
      1   0.217728D+01  0.655036D+01  0.406965D+01 -0.261662D+01  0.256597D+01
      2  -0.111677D+01 -0.206453D+01 -0.200230D+01  0.322428D+00  0.608644D+00
      3  -0.106052D+01 -0.448583D+01 -0.206736D+01  0.229420D+01 -0.317462D+01
      4   0.396105D+00  0.384299D+00  0.303855D+01 -0.276726D+01  0.284852D+01
      5   0.110142D+01  0.322446D+01  0.503784D+00  0.266013D+01 -0.432746D+01
      6  -0.842103D+00  0.419678D+00  0.152261D+01 -0.194293D+01  0.643059D+01
               106           107           108           109           110 
      1   0.706737D+01  0.136913D+01 -0.116059D+02  0.752450D+02  0.188174D+02
      2  -0.107542D+02  0.481860D+00 -0.214414D+02 -0.368363D+02 -0.872265D+01
      3   0.368682D+01 -0.185098D+01  0.330474D+02 -0.384087D+02 -0.100947D+02
      4  -0.131184D+01  0.608563D+01 -0.261711D+01  0.224175D+02  0.149337D+02
      5   0.187660D+02 -0.318374D+01  0.453294D+02  0.643026D+01  0.226253D+01
      6  -0.181084D+01  0.573829D+01 -0.670251D+01  0.253384D+01  0.142526D+01
               111           112           113           114           115 
      1   0.193327D+01  0.309746D+02  0.114299D+02  0.134792D+01 -0.137694D+02
      2  -0.233134D+01 -0.138146D+02 -0.256273D+01 -0.150765D+01  0.540874D+01
      3   0.398068D+00 -0.171600D+02 -0.886712D+01  0.159730D+00  0.836066D+01
      4   0.141315D+01  0.169869D+02  0.114580D+02 -0.795478D+00 -0.298286D+01
      5   0.996940D+01  0.420267D+01 -0.857128D+00  0.442619D+01  0.107577D+02
      6   0.729566D+00  0.174949D+01  0.115312D+01  0.160921D+01  0.431515D+00
               116           117           118           119           120 
      1  -0.242935D+01  0.618742D+01 -0.396956D+01 -0.972941D+01  0.231858D+01
      2   0.102106D+01 -0.531415D+01  0.420917D+01  0.140200D+02 -0.261380D+01
      3   0.140829D+01 -0.873273D+00 -0.239613D+00 -0.429059D+01  0.295216D+00
      4  -0.500510D+01  0.230224D+01  0.282326D+01 -0.282762D+01  0.176972D+01
      5   0.230107D+01  0.162280D+01 -0.186874D+00  0.298065D+01  0.341517D+00
      6   0.158141D+01 -0.799525D+00 -0.153541D+01 -0.283735D+01  0.192300D+01
               121           122           123           124           125 
      1  -0.594027D+01 -0.246981D+02  0.468763D+01  0.357553D+01  0.102912D+02
      2   0.492133D+01  0.388117D+02 -0.621609D+01 -0.272946D+01 -0.123641D+02
      3   0.101895D+01 -0.141136D+02  0.152846D+01 -0.846063D+00  0.207283D+01
      4   0.437748D+01 -0.193341D+02  0.150348D+01  0.847256D+00  0.476312D+01
      5   0.178040D+01  0.274740D+01 -0.496195D+01  0.353542D+01 -0.472580D+01
      6  -0.143270D+01 -0.604348D+01  0.704891D+01 -0.612851D+00  0.884029D+01
               126           127           128           129           130 
      1  -0.395883D+01  0.161927D+02 -0.437777D+01 -0.653742D+01 -0.194380D+00
      2   0.416428D+01 -0.100336D+02  0.158315D+01  0.476444D+01 -0.141452D+01
      3  -0.205450D+00 -0.615912D+01  0.279462D+01  0.177298D+01  0.160890D+01
      4  -0.376604D+01 -0.136109D+02  0.109902D+02  0.113710D+02  0.896962D+01
      5   0.208790D+01 -0.169035D+02  0.102571D+02  0.188243D+02  0.603021D+01
      6  -0.450888D+01  0.803960D+01 -0.680594D+01 -0.854274D+01 -0.545709D+01
               131           132           133           134           135 
      1  -0.217364D+01  0.655397D+00 -0.116476D+02  0.251097D+01  0.339641D+01
      2   0.552500D+01  0.132473D+01  0.808701D+01  0.201466D-01 -0.980209D+01
      3  -0.335136D+01 -0.198012D+01  0.356058D+01 -0.253111D+01  0.640567D+01
      4  -0.126573D+02 -0.880269D+01  0.172607D+02 -0.160089D+02 -0.159612D+02
      5  -0.850526D+01 -0.644343D+01  0.225544D+02 -0.147830D+02 -0.295955D+02
      6   0.679040D+01  0.798073D+01 -0.120575D+02  0.130253D+02  0.177109D+02
               136           137           138           139           140 
      1  -0.513976D+00  0.225496D+00 -0.508672D+01  0.261211D+01 -0.374526D+01
      2  -0.254210D+01 -0.100861D+01 -0.324967D+01 -0.205951D+01  0.147851D+01
      3   0.305608D+01  0.783113D+00  0.833639D+01 -0.552601D+00  0.226675D+01
      4   0.109949D+01  0.188371D+01  0.135663D+01  0.228145D+01 -0.179183D+01
      5   0.193181D+01  0.282191D+00  0.460335D+01 -0.171447D+01 -0.178172D+01
      6  -0.437593D+00  0.337919D+00  0.309403D+01 -0.133231D+01  0.776290D+00
               141           142           143           144           145 
      1   0.384718D+01 -0.260830D+01 -0.541630D+01 -0.307925D+02  0.324693D+01
      2   0.620779D+01 -0.107844D-01  0.232480D+01 -0.207840D+02  0.443731D+01
      3  -0.100550D+02  0.261908D+01  0.309150D+01  0.515765D+02 -0.768424D+01
      4  -0.183459D+01  0.162760D+01 -0.292378D+01 -0.774931D+00 -0.981593D+01
      5   0.201059D+01  0.559834D+01 -0.133495D+01 -0.101323D+02 -0.236674D+01
      6   0.483734D+01  0.376908D+00  0.857202D+01  0.157841D+02  0.227396D+01
               146           147           148           149           150 
      1   0.367433D+01  0.181938D+01  0.222289D+01 -0.224699D+02 -0.654958D+01
      2  -0.106886D+02 -0.266950D+01 -0.100311D+02  0.434271D+02  0.638655D+01
      3   0.701426D+01  0.850118D+00  0.780821D+01 -0.209572D+02  0.163025D+00
      4   0.168322D+02  0.313018D+01  0.158213D+02 -0.299908D+02 -0.710616D+01
      5   0.460495D+01  0.337375D+01  0.533937D+01 -0.808157D+01 -0.507115D+01
      6  -0.706208D+01 -0.350917D+01 -0.766206D+01  0.204769D+02  0.112260D+02
               151           152           153           154           155 
      1   0.240798D+01 -0.627806D+00 -0.527438D+01 -0.396510D+01  0.971820D+01
      2  -0.685957D+00 -0.374220D+01  0.195388D+01  0.420371D+01 -0.140040D+02
      3  -0.172202D+01  0.437001D+01  0.332050D+01 -0.238617D+00  0.428576D+01
      4  -0.174395D+01  0.116413D+01 -0.329352D+01 -0.282177D+01 -0.282307D+01
      5   0.131110D+01 -0.292711D+01 -0.191070D+01 -0.186423D+00 -0.298127D+01
      6  -0.162212D+01  0.623824D+01  0.341726D+01  0.153824D+01 -0.284323D+01
               156           157           158           159           160 
      1   0.232373D+01  0.593392D+01 -0.246899D+02 -0.469780D+01  0.358016D+01
      2  -0.261792D+01 -0.491214D+01  0.388007D+02  0.622858D+01 -0.273143D+01
      3   0.294188D+00 -0.102178D+01 -0.141107D+02 -0.153078D+01 -0.848728D+00
      4  -0.176983D+01  0.438158D+01  0.193416D+02  0.151214D+01 -0.843171D+00
      5   0.340870D+00 -0.177899D+01  0.275594D+01  0.496523D+01  0.353485D+01
      6  -0.192353D+01 -0.143328D+01  0.606304D+01  0.705467D+01  0.612593D+00
               161           162           163           164           165 
      1  -0.103033D+02 -0.396670D+01  0.161754D+02  0.437277D+01 -0.652992D+01
      2   0.123793D+02  0.417049D+01 -0.100216D+02 -0.157823D+01  0.475531D+01
      3  -0.207604D+01 -0.203788D+00 -0.615376D+01 -0.279454D+01  0.177461D+01
      4   0.477671D+01  0.377213D+01  0.136028D+02  0.109900D+02 -0.113696D+02
      5   0.473244D+01  0.209532D+01 -0.168891D+02 -0.102563D+02  0.188125D+02
      6   0.885021D+01  0.451997D+01 -0.803634D+01 -0.680571D+01  0.853932D+01
               166           167           168           169           170 
      1   0.194334D+00 -0.217667D+01 -0.654793D+00 -0.116410D+02 -0.250727D+01
      2   0.141639D+01  0.553066D+01 -0.132546D+01  0.807772D+01 -0.243228D-01
      3  -0.161073D+01 -0.335399D+01  0.198026D+01  0.356324D+01  0.253159D+01
      4   0.897290D+01  0.126666D+02 -0.880516D+01 -0.172608D+02 -0.160143D+02
      5  -0.603250D+01 -0.850743D+01  0.644862D+01  0.225442D+02  0.147883D+02
      6  -0.545884D+01 -0.679505D+01  0.798571D+01  0.120567D+02  0.130324D+02
               171           172           173           174           175 
      1   0.338542D+01  0.556952D+01 -0.218138D+01  0.654683D+01 -0.407300D+01
      2  -0.979090D+01 -0.523389D+01  0.111863D+01 -0.206995D+01  0.200461D+01
      3   0.640548D+01 -0.335628D+00  0.106275D+01 -0.447688D+01  0.206840D+01
      4   0.159652D+02 -0.282262D+01  0.399403D+00 -0.384166D+00  0.304057D+01
      5  -0.295931D+02  0.394328D+01 -0.110081D+01  0.323698D+01 -0.505695D+00
      6  -0.177174D+02  0.225823D+00 -0.840046D+00 -0.416723D+00  0.152369D+01
               176           177           178           179           180 
      1  -0.261282D+01 -0.255951D+01  0.707024D+01 -0.136307D+01 -0.115880D+02
      2   0.320277D+00 -0.607222D+00 -0.107637D+02 -0.479264D+00 -0.214527D+02
      3   0.229254D+01  0.316673D+01  0.369348D+01  0.184234D+01  0.330407D+02
      4   0.276412D+01  0.284883D+01  0.130849D+01  0.608678D+01  0.260589D+01
      5   0.266071D+01  0.431613D+01  0.187849D+02  0.317238D+01  0.453488D+02
      6   0.193764D+01  0.642719D+01  0.180805D+01  0.573545D+01  0.668566D+01
               181           182           183           184           185 
      1   0.752350D+02 -0.188213D+02  0.191094D+01 -0.309750D+02  0.114315D+02
      2  -0.368280D+02  0.872309D+01 -0.231905D+01  0.138125D+02 -0.256210D+01
      3  -0.384071D+02  0.100982D+02  0.408114D+00  0.171625D+02 -0.886936D+01
      4  -0.224241D+02  0.149361D+02 -0.140576D+01  0.169912D+02 -0.114596D+02
      5   0.639808D+01 -0.225428D+01  0.996632D+01 -0.418925D+01 -0.863984D+00
      6  -0.252882D+01  0.142302D+01 -0.729128D+00  0.174557D+01 -0.114962D+01
               186           187           188           189 
      1  -0.133962D+01 -0.137981D+02  0.243701D+01  0.619120D+01
      2   0.150394D+01  0.542389D+01 -0.102409D+01 -0.531567D+01
      3  -0.164326D+00  0.837423D+01 -0.141293D+01 -0.875529D+00
      4  -0.801573D+00  0.299262D+01 -0.501274D+01 -0.230618D+01
      5  -0.442675D+01  0.107611D+02 -0.230481D+01  0.161215D+01
      6   0.160898D+01 -0.431973D+00  0.158118D+01  0.800007D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101796D+03      0.150846D+02      0.167839D+02
   aniso      0.250913D+02      0.371814D+01      0.413699D+01
   xx         0.118173D+03      0.175114D+02      0.194841D+02
   yx        -0.297436D-03     -0.440754D-04     -0.490405D-04
   yy         0.961819D+02      0.142527D+02      0.158583D+02
   zx         0.143992D+01      0.213373D+00      0.237410D+00
   zy         0.126903D-03      0.188051D-04      0.209235D-04
   zz         0.910327D+02      0.134897D+02      0.150093D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101796D+03      0.150846D+02      0.167839D+02
   aniso      0.250913D+02      0.371814D+01      0.413699D+01
   xx         0.118212D+03      0.175173D+02      0.194906D+02
   yx        -0.485336D+00     -0.719193D-01     -0.800210D-01
   yy         0.909678D+02      0.134800D+02      0.149986D+02
   zx        -0.787340D+00     -0.116672D+00     -0.129815D+00
   zy        -0.101957D+00     -0.151085D-01     -0.168104D-01
   zz         0.962073D+02      0.142565D+02      0.158624D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-14\Freq\RwB97XD\Gen\C9H12\PIERPA\23-Jul-2021\0\\#P wB
 97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gues
 s=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.850997,1.132
 902,-1.10565\C,1.349583,0.074712,-0.171197\C,0.000033,0.589081,-0.0000
 49\C,2.545757,-0.163361,0.661658\C,2.010439,-1.243659,-0.273932\C,-0.8
 508,1.13255,1.105829\C,-1.349503,0.074646,0.171128\C,-2.010462,-1.2437
 26,0.273569\C,-2.545996,-0.163032,-0.661407\H,1.247956,2.136318,-0.998
 967\H,0.606749,0.844078,-2.122271\H,2.409697,-0.307621,1.726593\H,3.47
 3352,0.323369,0.386964\H,1.522142,-2.099447,0.175269\H,2.586225,-1.466
 945,-1.163587\H,-0.606306,0.843541,2.122338\H,-1.24784,2.135964,0.9994
 4\H,-1.522526,-2.099396,-0.176207\H,-2.585918,-1.467289,1.163367\H,-2.
 410375,-0.306923,-1.726447\H,-3.47345,0.323675,-0.386186\\Version=ES64
 L-G16RevA.03\State=1-A\HF=-350.184084\RMSD=6.763e-09\RMSF=3.867e-06\Ze
 roPoint=0.1816545\Thermal=0.1902387\Dipole=-0.0000225,0.0006539,-0.000
 0157\DipoleDeriv=0.0441472,0.0229242,0.0418348,-0.0035406,0.0325966,0.
 0982814,0.0410455,0.11593,-0.0071946,-0.0431092,0.1814136,-0.0811574,0
 .200245,0.0217823,0.074772,-0.1110469,0.0479791,0.1274627,-0.0851046,0
 .0000017,0.1614893,0.0000231,0.1930791,-0.0000116,0.1540475,-0.0000199
 ,0.0966244,-0.0030876,-0.0185548,-0.0971774,-0.0698904,0.0559693,-0.04
 57673,-0.0997486,-0.0447446,0.0154346,0.100947,0.0073863,-0.0295378,0.
 0177739,-0.0920419,-0.0706457,0.0169835,-0.0676885,0.0633715,0.0441304
 ,-0.0229887,0.0418786,0.0034768,0.0326479,-0.0982374,0.0410912,-0.1159
 148,-0.0072472,-0.043081,-0.181395,-0.0811632,-0.2002701,0.0218608,-0.
 074769,-0.1110858,-0.0479392,0.1273633,0.1009166,-0.0073241,-0.0295144
 ,-0.0177519,-0.0920952,0.0706065,0.0169918,0.0676769,0.0634634,-0.0031
 646,0.0186208,-0.097179,0.069983,0.0559411,0.0458379,-0.0997053,0.0447
 706,0.0155762,-0.0007675,-0.0660981,0.0079513,-0.0519745,-0.1088544,0.
 0521684,-0.0019807,-0.0080018,0.0104969,0.0281588,-0.0051393,-0.040393
 8,-0.0120063,0.0050125,-0.0418643,-0.0041315,0.0302958,-0.1234591,0.01
 14822,-0.0146372,0.029009,-0.0197599,0.0502639,0.014069,-0.0572638,0.0
 117847,-0.1164037,-0.11817,-0.0565467,-0.016835,-0.0760451,0.0328425,-
 0.0084629,0.0176072,0.0262239,0.0165998,0.0318692,-0.0744543,0.0342653
 ,-0.0050073,-0.0874279,0.0078388,0.0392937,0.0400199,0.0154199,-0.0089
 049,0.0340242,0.0713276,0.0345901,-0.0066982,-0.0188263,0.0822097,-0.0
 756158,-0.0500374,0.0281398,0.0051444,-0.040464,0.0119983,0.00501,0.04
 18869,-0.0041763,-0.0302665,-0.1234472,-0.0007681,0.0661127,0.0079491,
 0.0519829,-0.1088285,-0.0522053,-0.0019785,0.0079718,0.010488,0.031914
 6,0.0743691,0.0342908,0.0049727,-0.0874211,-0.0078994,0.039306,-0.0401
 091,0.0153849,-0.0088575,-0.0340371,0.0712758,-0.0346167,-0.0067401,0.
 0188363,0.0821726,0.0756307,-0.0500652,0.0114703,0.0146176,0.0289452,0
 .0197754,0.050277,-0.0140306,-0.0573133,-0.0117353,-0.1164119,-0.11816
 11,0.0565607,-0.0167947,0.0760417,0.0328242,0.0084225,0.0176818,-0.026
 2478,0.0165807\Polar=116.2055002,-0.0002558,94.7190803,1.2131655,0.000
 246,90.1063663\Quadrupole=-0.5445672,-0.1776558,0.722223,0.000473,-0.6
 946042,0.0002336\PG=C01 [X(C9H12)]\NImag=0\\0.26677072,0.13649085,0.56
 815075,0.05135954,-0.00487530,0.60535281,-0.03990510,0.04575839,-0.065
 19487,0.57287303,0.01799658,-0.13919671,0.07910309,-0.21258614,0.47154
 072,-0.03304811,0.06301625,-0.11540461,0.09202476,-0.07738871,0.337202
 12,-0.07940225,-0.06616006,0.08510141,-0.23377901,0.08022128,0.0057189
 5,0.67601750,-0.03776295,-0.06731528,0.02732509,0.06050878,-0.06784593
 ,-0.02253382,0.00002859,0.29481878,0.05430339,0.04472356,-0.14320483,0
 .03070146,-0.03464647,-0.03504645,-0.18981551,-0.00002397,0.38906697,-
 0.00138466,0.00944407,0.00662686,-0.17891204,0.03100081,-0.07543697,-0
 .02027147,-0.00476144,-0.01826048,0.54977573,0.01586409,0.00255885,0.0
 1004934,-0.00234042,-0.02561511,0.01792252,0.00434398,-0.01025966,0.00
 224604,0.15961409,0.28904690,-0.01411761,-0.01105836,-0.01468837,-0.08
 866326,0.04413837,-0.11736364,0.00699282,0.01125624,0.00986811,-0.0006
 0964,-0.04064808,0.62322927,-0.01014874,-0.00423549,-0.00637355,-0.073
 36306,0.05987690,0.02270027,-0.00520662,0.02707838,0.00692358,-0.05373
 883,-0.03433340,-0.00509807,0.36192358,0.00312922,-0.01452671,-0.00752
 763,0.09031543,-0.20152405,0.00962353,0.00727793,-0.00232944,0.0047646
 8,-0.07421330,-0.10791025,-0.07799773,0.05003549,0.60420163,-0.0014967
 8,0.02145424,0.01119497,0.03848358,-0.01757440,-0.04482260,-0.00565730
 ,-0.01042785,-0.01240981,-0.02371409,-0.04589944,-0.10848307,-0.201309
 37,0.02140626,0.49490097,-0.01110084,0.00006914,0.00100044,-0.00988142
 ,0.01001912,0.02022434,-0.07938500,0.03773142,0.05430008,0.00476624,-0
 .00001498,-0.00148616,-0.00112454,-0.00188519,0.00226638,0.26682462,-0
 .00007088,0.01406099,0.01468989,-0.00325863,-0.01438941,-0.01114044,0.
 06612238,-0.06728836,-0.04470675,-0.00247334,0.00150170,0.00171485,0.0
 0255864,0.00089640,-0.00364426,-0.13651311,0.56811902,0.00100189,-0.01
 467849,-0.01463281,0.00683222,0.00865424,0.00572375,0.08511311,-0.0273
 0518,-0.14324648,0.00126184,0.00057288,0.00052686,-0.00304862,0.000624
 16,0.00157763,0.05141016,0.00490054,0.60535318,-0.00987512,0.00326313,
 0.00683270,-0.02412817,-0.01121920,0.00023902,-0.23375320,-0.06051286,
 0.03070459,-0.00069297,-0.00168346,0.00304747,0.00446434,-0.00099594,-
 0.00169644,-0.03991936,-0.04575252,-0.06522058,0.57290800,-0.01001693,
 -0.01438707,-0.00866297,0.01121478,0.01339623,0.00656374,-0.08021238,-
 0.06786141,0.03465170,0.00268919,0.00056451,-0.00206507,-0.00222122,0.
 00076532,0.00163775,-0.01799820,-0.13916002,-0.07911374,0.21255024,0.4
 7143609,0.02021713,0.01112929,0.00572576,0.00024457,-0.00655660,-0.013
 16853,0.00572646,0.02254304,-0.03503188,-0.00349395,-0.00124285,0.0018
 3512,0.00157390,0.00050571,0.00055570,-0.03306312,-0.06302503,-0.11543
 942,0.09203683,0.07738707,0.33718484,-0.00112216,-0.00255594,-0.003048
 86,0.00446296,0.00222075,0.00157388,-0.00520700,-0.02707519,0.00690959
 ,0.00066070,0.00042577,-0.00076864,-0.00068080,0.00063330,0.00036090,-
 0.01015058,0.00423173,-0.00636780,-0.07335307,-0.05988060,0.02268867,0
 .36173719,0.00188430,0.00089520,-0.00062321,0.00099574,0.00076535,-0.0
 0050585,-0.00727563,-0.00232789,-0.00476203,-0.00010765,0.00039881,-0.
 00007430,-0.00063294,0.00056639,-0.00006318,-0.00312536,-0.01452257,0.
 00752157,-0.09032982,-0.20147847,-0.00965743,-0.04996257,0.60424012,0.
 00226582,0.00364431,0.00157923,-0.00169682,-0.00163891,0.00055453,-0.0
 0566090,0.01043613,-0.01240776,-0.00014820,-0.00010955,0.00020966,0.00
 036113,0.00006375,-0.00030248,-0.00149198,-0.02146220,0.01119362,0.038
 46193,0.01753017,-0.04484162,-0.20127872,-0.02130035,0.49506582,0.0047
 6296,0.00247123,0.00126423,-0.00069095,-0.00268810,-0.00349356,-0.0202
 6476,0.00476729,-0.01824728,-0.00075113,-0.00056676,0.00097363,0.00066
 092,0.00010778,-0.00014800,-0.00138950,-0.00944069,0.00661585,-0.17896
 137,-0.03097703,-0.07542122,-0.05374070,0.07425279,-0.02370812,0.54971
 819,0.00001557,0.00150197,-0.00057202,0.00168321,0.00056353,0.00124086
 ,-0.00434347,-0.01025644,-0.00225119,0.00056608,0.00039578,-0.00054551
 ,-0.00042559,0.00039935,0.00010945,-0.01586383,0.00255745,-0.01004477,
 0.00238165,-0.02558850,-0.01787813,0.03435087,-0.10798225,0.04589889,-
 0.15962602,0.28906963,-0.00148762,-0.00171561,0.00052580,0.00304873,0.
 00206607,0.00183611,0.00699873,-0.01126677,0.00986762,0.00097405,0.000
 54632,-0.00078213,-0.00076924,0.00007451,0.00020949,-0.01413260,0.0110
 6566,-0.01469094,-0.08862906,-0.04408376,-0.11732201,-0.00510165,0.077
 98203,-0.10843412,-0.00063186,0.04057926,0.62327294,-0.07470164,-0.099
 53162,-0.01507609,0.00706718,0.02014086,0.00619134,-0.01046304,-0.0223
 6024,-0.00510006,0.00074407,-0.00215740,0.00259182,0.00207524,0.002535
 86,-0.00310296,0.00159787,0.00261576,-0.00248712,0.00163826,-0.0040439
 2,0.00206071,-0.00082850,0.00047075,0.00140164,0.00061882,0.00040695,-
 0.00026902,0.07688308,-0.09926972,-0.28388762,-0.03240787,-0.00684021,
 -0.01717536,-0.00076386,0.00113774,-0.00130363,0.00338416,0.00059284,0
 .00278042,-0.00166689,-0.00311361,-0.00028290,0.00186064,-0.00011284,0
 .00103845,0.00041472,0.00161145,0.00036734,-0.00090844,0.00009849,0.00
 005700,0.00002094,-0.00016371,0.00003620,-0.00003419,0.10625813,0.3033
 2160,-0.01531182,-0.03342764,-0.05317442,0.00531791,0.01198256,-0.0026
 3654,0.00610933,0.01807006,-0.00084301,-0.00021963,-0.00101726,0.00193
 528,0.00193462,0.00033993,-0.00089396,-0.00038726,-0.00165059,0.002389
 63,-0.00177538,0.00255346,-0.00104076,0.00060457,-0.00013510,-0.000561
 47,-0.00006220,-0.00016977,0.00020391,0.01365529,0.02881054,0.05386893
 ,-0.05221600,-0.02372219,-0.06197746,-0.00693164,-0.00868597,-0.017304
 91,0.00640943,0.01020322,0.02397904,0.00200094,0.00139211,-0.00332442,
 0.00067592,-0.00183219,0.00252912,0.00150718,-0.00321194,0.00363192,0.
 00117973,0.00222683,-0.00273594,0.00057892,-0.00010858,-0.00045836,-0.
 00066686,0.00012521,-0.00009394,-0.00230484,-0.00141963,-0.00963399,0.
 05213254,-0.02388646,-0.07159091,-0.07605130,0.00424983,0.00466981,0.0
 2094967,0.00079243,-0.00276314,0.00496780,-0.00226198,-0.00066216,0.00
 309825,0.00017539,0.00265478,-0.00235921,0.00075919,-0.00006437,-0.000
 09112,-0.00024759,0.00100999,-0.00018101,0.00022487,0.00015235,-0.0000
 0686,0.00000420,0.00010889,0.00022823,-0.00476462,-0.00420201,-0.02549
 669,0.02381324,0.07121226,-0.06203863,-0.07526060,-0.28723544,-0.00014
 971,0.00013413,-0.01040436,-0.00299624,-0.00117874,-0.01577518,0.00231
 629,-0.00068708,-0.00049009,-0.00017109,-0.00024883,0.00211144,-0.0023
 6993,0.00167514,-0.00099151,-0.00055532,-0.00096492,0.00255007,-0.0002
 4181,0.00006203,0.00023402,0.00088173,-0.00017055,-0.00033596,0.000122
 48,0.00009828,0.00043729,0.06499395,0.07537602,0.30998059,-0.00100321,
 -0.00307620,-0.00324524,0.00265463,0.00315304,-0.02584871,0.00298549,0
 .00102848,0.00209081,-0.05355237,-0.01220509,0.04218034,-0.00412066,-0
 .00064697,-0.00142929,-0.00042413,0.00061098,-0.00000300,0.00055372,-0
 .00039424,0.00015422,-0.00010784,-0.00007998,0.00012893,0.00014339,0.0
 0000397,-0.00003039,0.00020206,-0.00001004,0.00024431,-0.00092867,0.00
 102298,-0.00038230,0.05331251,0.00162400,0.00192711,0.00245622,-0.0050
 6466,-0.00577345,0.01444068,-0.00179498,0.00024212,-0.00152333,-0.0122
 3326,-0.04361557,0.04298247,0.00572056,0.00488056,-0.02788343,0.000378
 34,-0.00032686,-0.00030911,-0.00011856,0.00030799,-0.00030185,0.000098
 10,-0.00012803,-0.00001208,-0.00004532,0.00003660,0.00002804,-0.000326
 48,0.00022190,-0.00013288,0.00093678,-0.00054631,0.00032949,0.01222453
 ,0.04446524,0.00075557,-0.00198104,-0.00066264,-0.00173853,-0.00017781
 ,-0.01008756,0.00082752,-0.00028203,0.00184718,0.04111017,0.04055339,-
 0.31867812,-0.00024805,0.00206274,-0.01000349,-0.00054732,0.00057288,-
 0.00016562,0.00005781,-0.00004121,0.00003656,0.00002062,-0.00002555,-0
 .00000433,-0.00002311,0.00006501,0.00006993,0.00002513,0.00002707,0.00
 005315,-0.00036073,0.00039094,0.00003233,-0.03860723,-0.04167044,0.340
 34996,0.00338090,0.00126562,0.00135046,-0.02046683,-0.00988434,0.00510
 147,-0.00050868,-0.00421081,-0.00140126,-0.25032465,-0.11391379,0.0665
 9350,0.00089787,0.00240097,-0.00364278,0.00054039,-0.00002357,0.000203
 30,-0.00055001,0.00074546,-0.00112369,0.00031663,0.00007153,-0.0000154
 6,-0.00032402,0.00029992,0.00033513,-0.00071298,0.00095352,-0.00056680
 ,0.00022931,0.00001652,-0.00004415,-0.00068027,0.00001059,0.00012886,0
 .26764056,-0.00202745,0.00021429,-0.00189017,0.01506326,0.00590284,-0.
 00853292,0.00278204,0.00220829,0.00186752,-0.11259598,-0.09365641,0.03
 620060,-0.02225833,-0.01177118,0.00948665,-0.00058969,0.00018316,-0.00
 009643,0.00046173,-0.00076382,0.00088461,-0.00018460,0.00001786,-0.000
 01835,0.00025617,-0.00016964,-0.00023816,-0.00015538,-0.00052437,0.000
 14371,-0.00029405,0.00011668,-0.00002532,-0.00170459,-0.00146861,0.000
 30265,0.12171032,0.09878092,0.00106406,0.00048869,0.00169632,-0.012031
 27,-0.00715927,0.00078150,-0.00056262,-0.00201192,-0.00067245,0.068526
 70,0.03767707,-0.07219978,-0.01348590,-0.00590421,0.00157477,0.0000222
 5,0.00009975,0.00015228,-0.00034393,0.00028022,-0.00018880,0.00012703,
 0.00008912,-0.00003628,-0.00009770,0.00010856,0.00017216,-0.00010630,0
 .00050735,0.00000776,0.00020079,-0.00024449,0.00006853,0.02486611,0.01
 286025,-0.00394543,-0.06718195,-0.03603932,0.07208759,0.00130408,0.003
 89020,0.00205720,0.01098612,0.01693133,-0.01242493,0.00080935,-0.00306
 616,-0.00146848,-0.00990673,-0.01192461,0.00997620,-0.10010799,-0.1026
 2858,0.06362793,0.00030472,-0.00041635,0.00031948,-0.00029703,0.000460
 95,-0.00022980,-0.00019517,-0.00032895,0.00012295,0.00018161,-0.000067
 23,0.00003616,-0.00101954,0.00089901,-0.00042685,0.00019833,-0.0003391
 4,0.00003884,0.00112805,0.00230505,0.00067025,0.00061308,-0.00310746,-
 0.00174009,0.10252625,-0.00265588,-0.00182948,-0.00221557,-0.00849097,
 -0.01857025,0.00654347,-0.00017483,0.00341458,0.00055855,-0.00169945,-
 0.00935163,0.00269201,-0.10241674,-0.21787983,0.09294215,-0.00021941,0
 .00024274,-0.00019160,0.00085925,-0.00053753,0.00051891,-0.00008369,-0
 .00015852,-0.00029427,-0.00000857,-0.00016947,-0.00015432,0.00094008,-
 0.00052841,0.00043827,-0.00001930,0.00021663,0.00002101,-0.00080361,0.
 00115709,-0.00012757,0.00134976,-0.00083974,0.00000024,0.10947482,0.23
 657899,0.00022046,0.00118581,0.00083420,0.00197263,0.00189992,-0.00532
 795,0.00029125,-0.00100712,0.00061364,-0.01037500,-0.01782822,0.009949
 44,0.06480459,0.09543078,-0.09889597,-0.00018534,-0.00007452,0.0002152
 3,-0.00042409,-0.00001711,0.00011126,-0.00000718,0.00033471,0.00010953
 ,0.00006150,0.00005500,-0.00003833,-0.00040453,0.00034893,0.00006826,0
 .00023595,-0.00013083,0.00008041,-0.00090810,0.00217291,0.00129214,0.0
 0059795,-0.00372719,-0.00133433,-0.06483610,-0.09802172,0.10019047,0.0
 0146659,-0.00261838,-0.00157647,-0.01307153,0.00202227,0.01580290,0.00
 139236,0.00223844,0.00313817,0.01167408,-0.00161318,-0.01834285,-0.121
 98796,0.02576437,0.13371801,-0.00035098,0.00117656,-0.00076496,0.00056
 208,-0.00047555,-0.00014756,0.00001715,-0.00002792,0.00003136,-0.00004
 012,0.00011748,0.00007691,0.00016972,-0.00007496,-0.00015763,-0.000471
 31,0.00064067,-0.00061541,0.00013949,-0.00385895,-0.00170223,0.0002639
 7,0.00235158,0.00087966,-0.00612538,0.00374925,0.00899807,0.12684157,-
 0.00052030,0.00315876,0.00148182,0.01128587,-0.00736769,-0.01927389,-0
 .00188318,-0.00146789,-0.00326614,0.00643302,-0.00599922,-0.00819928,0
 .02439608,-0.05809004,-0.04149757,0.00058057,-0.00080819,0.00055325,-0
 .00007115,0.00023476,0.00014819,0.00005075,0.00001004,-0.00014177,-0.0
 0004978,-0.00001949,-0.00000252,-0.00029595,0.00016547,-0.00006136,0.0
 0065918,-0.00046087,0.00066927,0.00087088,-0.00135918,0.00029179,-0.00
 065750,0.00154228,-0.00081679,-0.01185994,0.00770744,0.01964579,-0.029
 29349,0.06254278,0.00006976,-0.00156029,0.00067042,-0.00645901,-0.0011
 6401,0.00673281,-0.00092673,0.00209744,0.00110728,0.01065590,-0.002256
 60,-0.01492646,0.13177083,-0.04294782,-0.23610984,-0.00028897,0.000463
 23,-0.00017453,0.00035128,-0.00013866,-0.00003693,-0.00006796,-0.00005
 553,0.00005464,0.00002492,-0.00000928,-0.00001389,0.00021963,-0.000153
 07,0.00007205,0.00018337,-0.00030987,-0.00030117,0.00030263,-0.0032893
 3,-0.00031876,-0.00043578,0.00176727,0.00169549,0.00432315,-0.00285129
 ,-0.00763296,-0.13953857,0.05043398,0.24903669,0.00150762,0.00320986,0
 .00363289,0.00118093,-0.00222614,-0.00273671,0.00641251,-0.01020627,0.
 02397316,-0.00066687,-0.00012543,-0.00009407,0.00057933,0.00010851,-0.
 00045831,-0.05224584,0.02375040,-0.06203247,-0.00693474,0.00869236,-0.
 01729727,0.00067671,0.00183126,0.00252938,0.00199994,-0.00139127,-0.00
 332581,0.00028058,-0.00010186,-0.00033726,-0.00138909,-0.00000705,0.00
 077626,-0.00025299,0.00024308,-0.00012388,-0.00002495,0.00001287,-0.00
 015837,-0.00010750,0.00006580,-0.00002718,0.00010063,-0.00015036,0.000
 00555,0.05216323,-0.00075744,-0.00006366,0.00009213,0.00024809,0.00100
 969,0.00017924,-0.00079163,-0.00276366,-0.00496319,-0.00000493,0.00010
 888,-0.00022836,-0.00022475,0.00015240,0.00000679,0.02391416,-0.071620
 49,0.07608391,-0.00425162,0.00467872,-0.02094343,-0.00017446,0.0026542
 6,0.00235965,0.00225995,-0.00066172,-0.00309924,0.00018206,0.00004326,
 -0.00000463,0.00000649,0.00020123,-0.00006519,0.00000416,0.00003851,0.
 00007918,0.00003446,-0.00002264,0.00010621,-0.00000260,-0.00008152,0.0
 0002821,-0.00002587,-0.00003050,-0.00000369,-0.02384483,0.07123834,-0.
 00236985,-0.00167480,-0.00099341,-0.00055745,0.00096553,0.00255114,-0.
 00299989,0.00118168,-0.01578212,0.00088270,0.00017087,-0.00033553,-0.0
 0024235,-0.00006207,0.00023420,-0.06209205,0.07529549,-0.28717602,-0.0
 0014874,-0.00013159,-0.01040350,-0.00017064,0.00024844,0.00211158,0.00
 231602,0.00068738,-0.00049077,-0.00002724,0.00005452,0.00013546,0.0007
 7637,0.00006556,-0.00026532,0.00023420,-0.00009381,0.00008621,0.000170
 33,-0.00016510,0.00011301,0.00004707,-0.00008810,-0.00007976,0.0000112
 0,0.00005628,0.00004961,0.06504959,-0.07541674,0.30992097,0.00159770,-
 0.00261428,-0.00248825,0.00163690,0.00404318,0.00206335,-0.01046436,0.
 02235975,-0.00509256,0.00061930,-0.00040699,-0.00026879,-0.00082899,-0
 .00047119,0.00140140,-0.07471784,0.09955440,-0.01505159,0.00706796,-0.
 02014558,0.00618076,0.00207495,-0.00253561,-0.00310431,0.00074584,0.00
 215681,0.00259353,-0.00076783,-0.00045833,0.00063472,0.00028079,-0.000
 18204,-0.00002739,-0.00003871,-0.00001024,-0.00020403,-0.00011904,0.00
 005585,0.00002149,0.00013858,-0.00002596,0.00001314,-0.00045895,0.0003
 5351,-0.00016033,-0.00230699,0.00476963,0.00012410,0.07690189,0.000112
 86,0.00103814,-0.00041548,-0.00161158,0.00036781,0.00090904,-0.0011397
 2,-0.00129647,-0.00338403,0.00016378,0.00003609,0.00003417,-0.00009858
 ,0.00005684,-0.00002075,0.09929290,-0.28389002,0.03233688,0.00683952,-
 0.01717679,0.00075741,0.00311296,-0.00028270,-0.00186136,-0.00059139,0
 .00278035,0.00166815,0.00045815,-0.00021004,-0.00037677,0.00010201,0.0
 0004331,-0.00005458,-0.00001064,0.00000586,-0.00002172,0.00002993,-0.0
 0001058,-0.00000013,-0.00003056,0.00005018,-0.00002562,-0.00000254,0.0
 0003737,0.00001708,0.00142186,-0.00420753,-0.00009937,-0.10628086,0.30
 332302,-0.00038780,0.00165073,0.00239049,-0.00177580,-0.00255430,-0.00
 104249,0.00611198,-0.01807347,-0.00084720,-0.00006236,0.00016972,0.000
 20397,0.00060507,0.00013537,-0.00056158,-0.01528781,0.03335846,-0.0531
 5481,0.00531647,-0.01198428,-0.00264212,0.00193476,-0.00033949,-0.0008
 9452,-0.00021873,0.00101666,0.00193556,0.00063494,0.00037686,-0.000254
 59,-0.00033734,0.00000459,0.00013546,0.00021982,-0.00003276,0.00010712
 ,0.00001934,-0.00000220,0.00007505,-0.00008981,0.00002702,-0.00006302,
 0.00022888,-0.00012640,0.00011413,-0.00963469,0.02549442,0.00044422,0.
 01363013,-0.02873307,0.05385299,0.00030452,0.00041623,0.00031980,-0.00
 029755,-0.00046097,-0.00022995,0.00080881,0.00306763,-0.00146757,0.000
 18158,0.00006697,0.00003629,-0.00019496,0.00032854,0.00012316,0.001304
 72,-0.00389203,0.00205702,0.01098235,-0.01692865,-0.01244074,-0.100020
 69,0.10254930,0.06366388,-0.00990599,0.01193196,0.00998821,0.00013862,
 0.00003061,-0.00008975,-0.00010752,0.00000254,0.00004703,0.00000348,-0
 .00004150,0.00000357,0.00000855,0.00010319,0.00007264,-0.00044890,0.00
 006098,-0.00006621,0.00000588,0.00006758,-0.00001324,0.00019840,0.0003
 3920,0.00003891,-0.00102001,-0.00089920,-0.00042686,0.10243754,0.00021
 917,0.00024239,0.00019146,-0.00085851,-0.00053716,-0.00051886,0.000173
 74,0.00341287,-0.00055717,0.00000849,-0.00016948,0.00015420,0.00008357
 ,-0.00015883,0.00029409,0.00265604,-0.00182881,0.00221439,0.00848509,-
 0.01855866,-0.00655002,0.10234085,-0.21785905,-0.09306205,0.00170598,-
 0.00936284,-0.00270207,0.00002591,0.00005015,-0.00002690,-0.00006582,-
 0.00008151,0.00008809,0.00001594,-0.00001600,-0.00000485,-0.00008546,0
 .00013321,-0.00001312,-0.00006058,0.00034516,-0.00016422,-0.00002890,0
 .00011632,-0.00002035,0.00001916,0.00021659,-0.00002099,-0.00093998,-0
 .00052803,-0.00043818,-0.10939855,0.23655346,-0.00018545,0.00007444,0.
 00021507,-0.00042389,0.00001683,0.00011122,0.00029085,0.00100585,0.000
 61423,0.00006160,-0.00005497,-0.00003836,-0.00000728,-0.00033488,0.000
 10955,0.00022065,-0.00118478,0.00083410,0.00196886,-0.00189821,-0.0053
 2821,0.06484242,-0.09555256,-0.09903222,-0.01036514,0.01782013,0.00995
 388,0.00001312,0.00002564,-0.00006294,-0.00002706,-0.00002822,-0.00007
 969,-0.00001193,-0.00001987,-0.00002169,-0.00001816,0.00003500,-0.0000
 2206,-0.00006617,0.00016443,-0.00002335,0.00006831,0.00009050,-0.00002
 511,0.00023584,0.00013077,0.00008037,-0.00040437,-0.00034876,0.0000683
 8,-0.06487380,0.09814952,0.10033273,-0.00035102,-0.00117648,-0.0007654
 0,0.00056189,0.00047582,-0.00014722,0.00139280,-0.00223987,0.00313806,
 -0.00004011,-0.00011749,0.00007686,0.00001704,0.00002782,0.00003142,0.
 00146633,0.00261982,-0.00157642,-0.01306930,-0.00202846,0.01581168,-0.
 12188968,-0.02579115,0.13366883,0.01167157,0.00161817,-0.01835147,-0.0
 0045908,0.00000248,0.00022879,0.00010069,0.00002585,0.00001116,-0.0000
 5320,-0.00001120,-0.00004690,-0.00004138,0.00001012,-0.00004099,0.0000
 0590,0.00002894,0.00006834,-0.00003272,0.00004203,-0.00001999,-0.00047
 140,-0.00064049,-0.00061569,0.00016980,0.00007505,-0.00015760,-0.00611
 926,-0.00375003,0.00899317,0.12673762,-0.00057991,-0.00080752,-0.00055
 329,0.00007096,0.00023489,-0.00014814,0.00188337,-0.00146742,0.0032640
 5,0.00004969,-0.00001942,0.00000253,-0.00005082,0.00000984,0.00014165,
 0.00051965,0.00315811,-0.00148086,-0.01127550,-0.00737631,0.01926978,-
 0.02442315,-0.05811637,0.04156120,-0.00643682,-0.00600308,0.00820777,-
 0.00035330,0.00003731,0.00012627,0.00015026,-0.00003046,-0.00005617,-0
 .00002236,0.00000684,-0.00000825,-0.00001982,0.00003404,0.00000110,-0.
 00006751,0.00011631,-0.00009042,-0.00004199,0.00004691,-0.00000770,-0.
 00065934,-0.00046073,-0.00066910,0.00029589,0.00016541,0.00006131,0.01
 185306,0.00771374,-0.01964539,0.02932088,0.06257551,-0.00028909,-0.000
 46305,-0.00017448,0.00035100,0.00013865,-0.00003684,-0.00092587,-0.002
 09690,0.00110686,0.00002495,0.00000931,-0.00001391,-0.00006800,0.00005
 547,0.00005466,0.00006977,0.00155989,0.00067108,-0.00645575,0.00115954
 ,0.00673659,0.13172066,0.04301173,-0.23618374,0.01064361,0.00225747,-0
 .01491848,-0.00016032,-0.00001710,0.00011400,0.00000557,0.00000365,0.0
 0004952,-0.00000975,0.00000743,0.00001082,0.00001329,0.00000408,0.0000
 0854,-0.00001326,0.00002039,-0.00002515,-0.00001998,0.00000771,-0.0000
 1282,0.00018326,0.00031010,-0.00030122,0.00021959,0.00015301,0.0000720
 2,0.00432782,0.00285880,-0.00764505,-0.13948501,-0.05050119,0.24910965
 ,-0.00042429,-0.00061144,-0.00000281,0.00055374,0.00039433,0.00015439,
 0.00298592,-0.00102916,0.00209077,0.00014336,-0.00000392,-0.00003039,-
 0.00010788,0.00007986,0.00012889,-0.00100448,0.00307790,-0.00324459,0.
 00264737,-0.00314371,-0.02585394,-0.00412173,0.00064813,-0.00142846,-0
 .05351773,0.01217384,0.04207390,-0.00003899,0.00001057,0.00021968,-0.0
 0025284,-0.00000417,0.00023397,0.00001361,-0.00001181,0.00002634,0.000
 02559,-0.00000700,0.00002823,0.00000350,-0.00001594,-0.00001196,-0.000
 05318,0.00002236,-0.00000974,-0.00092892,-0.00102306,-0.00038234,0.000
 20223,0.00000995,0.00024425,0.00112790,0.00080394,-0.00090829,0.000139
 22,-0.00087134,0.00030258,0.05327815,-0.00037801,-0.00032653,0.0003092
 2,0.00011857,0.00030776,0.00030183,0.00179406,0.00024080,0.00152158,0.
 00004539,0.00003675,-0.00002808,-0.00009817,-0.00012799,0.00001203,-0.
 00162582,0.00192672,-0.00245456,0.00506052,-0.00576872,-0.01443789,-0.
 00570826,0.00487140,0.02789221,0.01220245,-0.04358779,-0.04289395,0.00
 001027,0.00000583,0.00003261,-0.00024283,0.00003856,0.00009358,0.00001
 178,-0.00003207,0.00000960,0.00002409,-0.00002376,-0.00000097,0.000041
 49,-0.00001600,0.00001989,0.00001121,0.00000686,-0.00000743,-0.0009366
 2,-0.00054601,-0.00032933,0.00032662,0.00022201,0.00013276,-0.00230660
 ,0.00115846,-0.00217166,0.00386071,-0.00136075,0.00328740,-0.01219532,
 0.04443851,-0.00054699,-0.00057239,-0.00016610,0.00005763,0.00004120,0
 .00003677,0.00082629,0.00028109,0.00184703,-0.00002311,-0.00006491,0.0
 0006979,0.00002058,0.00002546,-0.00000433,0.00075488,0.00198087,-0.000
 66170,-0.00173940,0.00018067,-0.01008055,-0.00025236,-0.00205750,-0.00
 999400,0.04100487,-0.04046399,-0.31874321,-0.00020395,0.00002165,0.000
 10697,-0.00012373,-0.00007901,0.00008618,0.00002633,-0.00000961,0.0000
 0881,-0.00002382,0.00001474,-0.00000656,0.00000359,0.00000486,-0.00002
 170,-0.00004685,0.00000824,0.00001082,-0.00036070,-0.00039068,0.000032
 34,0.00002524,-0.00002697,0.00005306,0.00066961,0.00012708,0.00129153,
 -0.00170104,-0.00029160,-0.00031706,-0.03849497,0.04157324,0.34041204,
 0.00053994,0.00002335,0.00020347,-0.00055011,-0.00074543,-0.00112359,-
 0.00050880,0.00421299,-0.00139950,-0.00032418,-0.00030010,0.00033498,0
 .00031677,-0.00007170,-0.00001549,0.00338244,-0.00126552,0.00135035,-0
 .02046949,0.00988667,0.00511229,0.00089268,-0.00239764,-0.00364451,-0.
 25025012,0.11388571,0.06669731,-0.00011905,-0.00002992,0.00001936,-0.0
 0002500,-0.00003466,0.00017027,0.00002560,-0.00002406,-0.00002384,-0.0
 0016403,0.00011742,-0.00005983,0.00000865,0.00008548,-0.00001817,-0.00
 004139,0.00001980,0.00001329,0.00022940,-0.00001652,-0.00004423,-0.000
 71323,-0.00095391,-0.00056684,0.00061253,-0.00135006,0.00059674,0.0002
 6428,0.00065810,-0.00043506,-0.00067056,-0.00001551,0.00012788,0.26756
 368,0.00058929,0.00018306,0.00009653,-0.00046178,-0.00076351,-0.000884
 33,-0.00278165,0.00220918,-0.00186538,-0.00025613,-0.00016976,0.000237
 97,0.00018462,0.00001772,0.00001839,0.00202788,0.00021435,0.00188933,-
 0.01505436,0.00589634,0.00853865,0.02226003,-0.01177294,-0.00949951,0.
 11256635,-0.09364855,-0.03625546,-0.00005587,-0.00001057,0.00000218,-0
 .00001283,-0.00002277,0.00016495,0.00000698,-0.00002374,-0.00001478,-0
 .00011739,0.00011718,-0.00002834,-0.00010319,0.00013327,-0.00003498,-0
 .00001009,0.00003406,-0.00000408,0.00029400,0.00011660,0.00002523,0.00
 015545,-0.00052424,-0.00014375,0.00310973,-0.00084199,0.00372617,-0.00
 235250,0.00154314,-0.00176638,0.00169598,-0.00146404,-0.00030245,-0.12
 168449,0.09877720,0.00002214,-0.00009973,0.00015204,-0.00034388,-0.000
 28013,-0.00018838,-0.00056365,0.00201116,-0.00067177,-0.00009763,-0.00
 010851,0.00017197,0.00012695,-0.00008917,-0.00003624,0.00106358,-0.000
 48809,0.00169648,-0.01202825,0.00715720,0.00078841,-0.01347748,0.00590
 244,0.00157992,0.06863057,-0.03773346,-0.07227754,0.00002149,0.0000001
 0,0.00007501,-0.00015819,-0.00010610,0.00011287,0.00002821,0.00000099,
 -0.00000657,-0.00005978,0.00002832,-0.00002732,0.00007267,0.00001313,-
 0.00002207,-0.00004096,-0.00000109,0.00000853,0.00020079,0.00024453,0.
 00006853,-0.00010582,-0.00050715,0.00000790,-0.00173982,0.00000114,-0.
 00133238,0.00087943,0.00081646,0.00169499,0.02486451,-0.01286208,-0.00
 396013,-0.06729489,0.03610002,0.07216575\\-0.00000269,0.00000003,0.000
 00301,0.00001079,-0.00000275,0.00000673,0.00000872,0.00000379,-0.00000
 043,-0.00000052,0.00000235,-0.00000026,0.00000181,0.00000851,-0.000004
 79,-0.00000373,-0.00000395,-0.00000142,-0.00000364,0.00000857,-0.00000
 136,0.00000025,-0.00000530,-0.00000218,0.00000198,-0.00000371,0.000001
 92,0.00000062,0.00000141,0.00000176,0.00000865,-0.00000415,0.00000037,
 -0.00000326,0.00000142,-0.00000114,-0.00000200,0.00000114,-0.00000020,
 -0.00001302,-0.00000506,0.00000025,-0.00000023,-0.00000316,0.00000098,
 -0.00000467,0.00000073,-0.00000063,-0.00000049,-0.00000026,-0.00000379
 ,-0.00000072,0.00000166,-0.00000140,0.00000240,-0.00000153,0.00000016,
 0.00000066,0.00000224,0.00000116,-0.00000092,-0.00000197,0.00000125\\\
 @


 BE CAREFUL NOT TO BECOME TOO GOOD OF A SONGBIRD OR 
 THEY'LL THROW YOU INTO A CAGE.

                                    -- SNOOPY TO WOODSTOCK
 Job cpu time:       0 days  3 hours 34 minutes 57.9 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 28.0 seconds.
 File lengths (MBytes):  RWF=    242 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 17:51:39 2021.
